5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
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![5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/68a2278de7f64b3a9e534445e0ed3d4c.png "5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one")
5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
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CAS No:
578750-41-1
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Formula:
C22H20N4O4S
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Chemical Name:
5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
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Synonyms:
SMR000013662;2-imino-3-(phenylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one;3-(benzenesulfonyl)-2-imino-1-(2-oxolanylmethyl)-5-dipyrido[1,2-d:3',4'-f]pyrimidinone;578750-41-1;3-Benzenesulfonyl-2-imino-1-(tetrahydro-furan-2-ylmethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-10-one;Oprea1_704257;MLS000033897;MLS002538258;CHEMBL1525029;CHEBI:115021;HMS2325O16;STK703647;AKOS000527113;AKOS016055210;MCULE-6569119042;AF-399/41899912;Q27196865;3-Benzenesulfonyl-2-imino-1-(tetrahydro-furan-2-ylmethyl)-1,2-dihydro-1,9,10a-tr;2-Imino-3-(phenylsulfonyl)-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one;2-imino-3-(phenylsulfonyl)-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
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CAS No:
Description
3-(benzenesulfonyl)-2-imino-1-(2-oxolanylmethyl)-5-dipyrido[1,2-d:3',4'-f]pyrimidinone is a pyridopyrimidine.
5-(benzenesulfonyl)-6-imino-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one Basic Attributes
436.5 g/mol
436.12052631 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:436.5
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:436.12052631
Monoisotopic Mass:436.12052631
Topological Polar Surface Area:112
Heavy Atom Count:31
Complexity:1070
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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