ethyl 3-(2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0580 |
| Compound Name: | ethyl 3-(2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1c(C#N)ccc(c2ccc(cc2)OC)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4737 |
| logD: | 5.4737 |
| logSw: | -5.4365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.946 |
| InChI Key: | ZSVPUZKLOWNSKL-UHFFFAOYSA-N |