AC1LYP9Q structure

AC1LYP9Q

N-(4-methylphenyl)-2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide

Also Known As: 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)-N-(p-tolyl)acetamide|N-(4-methylphenyl)-2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide|N-(4-methylphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide

CAS: 836643-29-9
Molecular Formula C29H31N3O2S
Molecular Weight 485.21368 g/mol
LogP 5.89352
Topological Polar Surface Area 63.99 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 485.21368
Monoisotopic Mass 485.21368
Heavy Atoms 35
Complexity 1351.3301

Chemical Identifiers

CAS Number 836643-29-9
SMILES CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCC4)CC5=CC=CC=C53

Product Overview

AC1LYP9Q (CAS 836643-29-9), with molecular formula C29H31N3O2S and molecular weight 485.21368 g/mol. IUPAC: N-(4-methylphenyl)-2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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