6-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0176 |
| Compound Name: | 6-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 381.25 |
| Molecular Formula: | C15 H13 Br N2 O3 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CSc1ccc(cn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2654 |
| logD: | 0.3905 |
| logSw: | -3.1212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.325 |
| InChI Key: | PCGKAAUMLCQEEU-UHFFFAOYSA-N |