6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}pyridine-3-carboxylic acid
6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0172 |
| Compound Name: | 6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSc1ccc(cn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9972 |
| logD: | 0.1223 |
| logSw: | -2.8573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.627 |
| InChI Key: | DVHGWXFYASUHRJ-UHFFFAOYSA-N |