ethyl 3-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0200 |
| Compound Name: | ethyl 3-(2-{[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C21 H17 N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1c(C#N)ccc(c2ccco2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4047 |
| logD: | 4.4047 |
| logSw: | -4.2565 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.98 |
| InChI Key: | AZHFPQHWRVDBLV-UHFFFAOYSA-N |