4-{[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}benzoic acid
4-{[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 7954-1836 |
| Compound Name: | 4-{[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C23 H18 N2 O2 S |
| Smiles: | C1Cc2c(c3ccccc3)c(C#N)c(nc2C1)SCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3058 |
| logD: | 2.3343 |
| logSw: | -5.5302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.694 |
| InChI Key: | JZDSMWSDBSCBGA-UHFFFAOYSA-N |