methyl 4-(2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0576 |
| Compound Name: | methyl 4-(2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c(C#N)ccc(c2ccc(cc2)OC)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7824 |
| logD: | 4.7823 |
| logSw: | -4.5601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.366 |
| InChI Key: | YLHWJRJIISGNQX-UHFFFAOYSA-N |