2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-7808 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C23 H21 Cl N2 O S |
| Smiles: | C1Cc2c(C3CCC=CC3)c(C#N)c(nc2C1)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3298 |
| logD: | 6.3298 |
| logSw: | -6.5882 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.725 |
| InChI Key: | DVKJGVXAUTXLCI-MRXNPFEDSA-N |