6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0171 |
| Compound Name: | 6-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C18 H20 N2 O4 S |
| Smiles: | CCCCOc1ccc(cc1)NC(CSc1ccc(cn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9163 |
| logD: | 1.0414 |
| logSw: | -3.742 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.441 |
| InChI Key: | VRBZXXHJNCYARH-UHFFFAOYSA-N |