2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | 4222-0233 |
Compound Name: | 2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide |
Molecular Weight: | 461.58 |
Molecular Formula: | C26 H27 N3 O3 S |
Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC(N)=O |
Stereo: | ACHIRAL |
logP: | 3.9124 |
logD: | 3.8153 |
logSw: | -4.1106 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.927 |
InChI Key: | YYTVKGQDZOEZHU-UHFFFAOYSA-N |