5-(benzenesulfonyl)-6-imino-7-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-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/20220812/6c64b51c75ef4767beceae8e7cfe6d3e.png "5-(benzenesulfonyl)-6-imino-7-[(4-methylphenyl)methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one")
5-(benzenesulfonyl)-6-imino-7-[(4-methylphenyl)methyl]-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:
371232-78-9
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Formula:
C25H20N4O3S
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Chemical Name:
5-(benzenesulfonyl)-6-imino-7-[(4-methylphenyl)methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
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Synonyms:
STK554581;AKOS002185109;ZINC100851358;MCULE-9662019648;ST50074053;2-imino-1-(4-methylbenzyl)-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one;2-imino-1-(4-methylbenzyl)-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one;2-imino-1-[(4-methylphenyl)methyl]-3-(phenylsulfonyl)-1,6-dihydropyridino[1,2- a]pyridino[2,3-d]pyrimidin-5-one;371232-78-9
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CAS No:
5-(benzenesulfonyl)-6-imino-7-[(4-methylphenyl)methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one Basic Attributes
456.5 g/mol
456.12561169 g/mol
Computed Properties
Molecular Weight:456.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:456.12561169
Monoisotopic Mass:456.12561169
Topological Polar Surface Area:102
Heavy Atom Count:33
Complexity:1110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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