AC1LYAT2

3-[(4-methoxyphenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Also Known As: Oprea1_376735|Oprea1_517942|BAS 01322156|AN-512/12673367|3-(4-methoxybenzyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one|3-[(4-methoxyphenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one|3-(4-methoxybenzyl)-2-[(2-methyl-2-propenyl)sulfanyl]-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one|3-[(4-methoxyphenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1//'-cyclohexane]-4-one|3-(4-methoxybenzyl)-2-((2-methylallyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one|3-[(4-methoxyphenyl)methyl]-2-(2-methylprop-2-enylthio)spiro[3,5,6-trihydroben zo[h]quinazoline-5,1'-cyclohexane]-4-one|3-[(4-Methoxyphenyl)methyl]-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Molecular Formula	C29H32N2O2S
Molecular Weight	472.21844 g/mol
LogP	6.3934
Topological Polar Surface Area	44.12 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	472.21844
Monoisotopic Mass	472.21844
Heavy Atoms	34
Complexity	1270.2783

Chemical Identifiers

CAS Number	337495-52-0
SMILES	CC(=C)CSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52