AC1LLEOK

5-(4-chlorophenyl)sulfonyl-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one

Also Known As: Oprea1_566103|BAS 06260492|1-Allyl-3-((4-chlorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one|1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one|1-Allyl-3-((4-chlorophenyl)sulfonyl)-2-imino-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one|1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one|3-[(4-chlorophenyl)sulfonyl]-2-imino-1-(prop-2-en-1-yl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one|5-(4-chlorophenyl)sulfonyl-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one|644-450-1

Molecular Formula	C20H15ClN4O3S
Molecular Weight	426.05533 g/mol
LogP	2.80087
Topological Polar Surface Area	97.29 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	426.05533
Monoisotopic Mass	426.05533
Heavy Atoms	29
Complexity	1503.5704

Chemical Identifiers

CAS Number	606958-72-9
SMILES	C=CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4C=CC=CC4=N2