AC1N5VAP

N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide

Also Known As: SR-01000560158-1|F3168-2101|N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide|N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide|N-(1,3-benzodioxol-5-ylmethyl)-3-[6-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide|N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide

Molecular Formula	C28H22ClN3O7S
Molecular Weight	579.0867 g/mol
LogP	4.1888
Topological Polar Surface Area	117.98 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	579.0867
Monoisotopic Mass	579.0867
Heavy Atoms	40
Complexity	1690.6235

Chemical Identifiers

CAS Number	896705-40-1
SMILES	C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC5=C(C=C4N=C3SCC(=O)C6=CC=C(C=C6)Cl)OCO5