AC1LYAS5

ethyl 2-[3-[(4-methoxyphenyl)methyl]-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate

Also Known As: Oprea1_316863|Oprea1_487201|BAS 01322157|AN-512/12673321|ethyl 2-[3-[(4-methoxyphenyl)methyl]-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate|ethyl {[3-(4-methoxybenzyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate|ethyl {[3-(4-methoxybenzyl)-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-2-yl]sulfanyl}acetate|ethyl 2-((3-(4-methoxybenzyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetate

Molecular Formula	C29H32N2O4S
Molecular Weight	504.20828 g/mol
LogP	5.3804
Topological Polar Surface Area	70.42 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	504.20828
Monoisotopic Mass	504.20828
Heavy Atoms	36
Complexity	1309.8397

Chemical Identifiers

CAS Number	337495-54-2
SMILES	CCOC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52