ethyl 3-(2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0007 |
| Compound Name: | ethyl 3-(2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C21 H17 N3 O3 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1c(C#N)ccc(c2cccs2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1425 |
| logD: | 5.1425 |
| logSw: | -4.9734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.42 |
| InChI Key: | KMQLXNQXKQDUHX-UHFFFAOYSA-N |