AC1Q1PKB

2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide

Also Known As: Oprea1_069003|KS-00003LTM|JS-1349|2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide|AA-768/36094010|2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide|2-[(3-isobutyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]-N-(3-nitrophenyl)acetamide|2-((3-Isobutyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl)-N-(3-nitrophenyl)acetamide|2-[3-(2-methylpropyl)-4-oxo(3-hydroquinazolin-2-ylthio)]-N-(3-nitrophenyl)acet amide|N-{3-nitrophenyl}-2-[(3-isobutyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetamide

Molecular Formula	C20H20N4O4S
Molecular Weight	412.1205 g/mol
LogP	3.6915
Topological Polar Surface Area	107.13 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	412.1205
Monoisotopic Mass	412.1205
Heavy Atoms	29
Complexity	1126.9094

Chemical Identifiers

CAS Number	329079-87-0
SMILES	CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]