2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | D360-5904 |
| Compound Name: | 2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 308.4 |
| Molecular Formula: | C18 H16 N2 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1c(C#N)cc2CCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0898 |
| logD: | 4.0898 |
| logSw: | -4.2742 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.805 |
| InChI Key: | KNQDTFWAAPCSHD-UHFFFAOYSA-N |