 Home > Encyclopedia > 6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one

6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one

6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one structure

CAS No:
606960-71-8
Formula:
C25H21N5O3S
Chemical Name:
6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Synonyms:
2-Imino-10-methyl-1-(pyridin-3-ylmethyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one;2-imino-10-methyl-3-[(4-methylphenyl)sulfonyl]-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one;606960-71-8;Oprea1_190728;MLS001146600;STK703575;AKOS001456055;ZINC100680773;MCULE-1011517066;SMR000646658;2-IMINO-10-METHYL-3-[(4-METHYLPHENYL)SULFONYL]-1-(3-PYRIDINYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE

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6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one Basic Attributes

Molecular Weight：

471.5 g/mol

Exact Mass：

471.13651072 g/mol

Characteristics

PSA：

115 Å²

Safety Information

GHS Classification：

|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:471.5
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:471.13651072
Monoisotopic Mass:471.13651072
Topological Polar Surface Area:115
Heavy Atom Count:34
Complexity:1160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-imino-11-methyl-5-(4-methylphenyl)sulfonyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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