AC1M1V3T

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one

Also Known As: Oprea1_627999|F0580-1045|2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one|2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one|2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one|3-[2-(1-indolinyl)-2-oxoethylthio]-2-(p-nitrophenyl)-2,4,9-triaza-2,9-dihydro-1H-fluoren-1-one

Molecular Formula	C26H19N5O4S
Molecular Weight	497.11578 g/mol
LogP	4.4566
Topological Polar Surface Area	114.13 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	497.11578
Monoisotopic Mass	497.11578
Heavy Atoms	36
Complexity	1724.801

Chemical Identifiers

CAS Number	536716-72-0
SMILES	C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64