2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | D360-5933 |
| Compound Name: | 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C18 H16 N2 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1c(C#N)cc2CCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6488 |
| logD: | 3.6488 |
| logSw: | -4.0204 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.348 |
| InChI Key: | SMXVXTIPCZTNHN-UHFFFAOYSA-N |