methyl 4-{2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5183-0259 |
| Compound Name: | methyl 4-{2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c(C#N)cc2CCCc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6299 |
| logD: | 3.6298 |
| logSw: | -3.9762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.881 |
| InChI Key: | OMJJTBDMVMOLHU-UHFFFAOYSA-N |