6-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0150 |
| Compound Name: | 6-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C16 H16 N2 O5 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CSc1ccc(cn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.623 |
| logD: | -0.2519 |
| logSw: | -2.8618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.11 |
| InChI Key: | ULWMNDHKZLAYBD-UHFFFAOYSA-N |