2-{[2-(4-methylbenzamido)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(4-methylbenzamido)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(4-methylbenzamido)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8017-0587 |
| Compound Name: | 2-{[2-(4-methylbenzamido)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C16 H14 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C(NC(CSc1c(cccn1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9639 |
| logD: | -0.1344 |
| logSw: | -2.6742 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.882 |
| InChI Key: | URYSPTUDWAIFMP-UHFFFAOYSA-N |