methyl 2-(2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D276-0002 |
| Compound Name: | methyl 2-(2-{[4,6-dimethyl-3-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | Cc1cc(C)nc(c1C(Nc1ccccc1)=O)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0778 |
| logD: | 4.0652 |
| logSw: | -4.3869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.237 |
| InChI Key: | WQUXEWYBBUTWAH-UHFFFAOYSA-N |