{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 8009-2412 |
| Compound Name: | {[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | COc1ccc(cc1)N1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.3464 |
| logD: | 4.3175 |
| logSw: | -4.4173 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.611 |
| InChI Key: | QHPGLAARGSVSBV-UHFFFAOYSA-N |