methyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D360-0669 |
| Compound Name: | methyl 4-{2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c(C#N)ccc(c2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.695 |
| logD: | 4.6949 |
| logSw: | -4.5019 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.822 |
| InChI Key: | DMKHAEJOKRMHHJ-UHFFFAOYSA-N |