{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 4184-0146 |
| Compound Name: | {[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C27 H27 N3 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(CCc2ccccc2)C(=N1)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3837 |
| logD: | 5.3835 |
| logSw: | -5.5372 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.291 |
| InChI Key: | KUJYAGWKVLBMSY-UHFFFAOYSA-N |