AC1N2W18

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

Also Known As: VU0512634-1|SR-01000560250-1|F3168-2182|N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide|N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]butanamide|N-(1,3-benzodioxol-5-ylmethyl)-4-[6-[(cyanomethyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide|N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(6-((cyanomethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide

Molecular Formula	C23H20N4O6S
Molecular Weight	480.11035 g/mol
LogP	2.56618
Topological Polar Surface Area	124.7 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	480.11035
Monoisotopic Mass	480.11035
Heavy Atoms	34
Complexity	1366.2933

Chemical Identifiers

CAS Number	688060-22-2
SMILES	C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC5=C(C=C4N=C3SCC#N)OCO5