2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-[4-(propan-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-[4-(propan-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-[4-(propan-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-3803 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-[4-(propan-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 447 |
| Molecular Formula: | C26 H23 Cl N2 O S |
| Smiles: | CC(C)c1ccc(cc1)c1c2CCCc2nc(c1C#N)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.2982 |
| logD: | 7.2982 |
| logSw: | -6.6572 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.533 |
| InChI Key: | ZJNWAZPRZTWUGX-UHFFFAOYSA-N |