{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 4184-0127 |
| Compound Name: | {[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C26 H25 N3 O S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N(CCc2ccccc2)C(=N1)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.945 |
| logD: | 4.9449 |
| logSw: | -4.8713 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.657 |
| InChI Key: | BLNQBDIUJVBYSK-UHFFFAOYSA-N |