{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 3455-1280 |
| Compound Name: | {[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C26 H25 N3 O S |
| Smiles: | Cc1cccc(c1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 5.3011 |
| logD: | 5.0543 |
| logSw: | -5.1212 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.701 |
| InChI Key: | ALBDZYUIHVITIE-UHFFFAOYSA-N |