AC1N5VB7

N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(4-nitrophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide

Also Known As: SR-01000560164-1|F3168-2104|N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-nitrophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide|N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(4-nitrophenyl)methylsulfanyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]propanamide|N-(1,3-benzodioxol-5-ylmethyl)-3-[6-[(4-nitrobenzyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide|N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(6-((4-nitrobenzyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide

Molecular Formula	C27H22N4O8S
Molecular Weight	562.11584 g/mol
LogP	3.7609
Topological Polar Surface Area	144.05 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	562.11584
Monoisotopic Mass	562.11584
Heavy Atoms	40
Complexity	1689.2539

Chemical Identifiers

CAS Number	896705-65-0
SMILES	C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C(=O)C4=CC5=C(C=C4N=C3SCC6=CC=C(C=C6)[N+](=O)[O-])OCO5