2-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}benzoic acid
2-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | 8013-9164 |
| Compound Name: | 2-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}benzoic acid |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C17 H17 N O4 S |
| Smiles: | CCOc1ccccc1NC(CSc1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1419 |
| logD: | 0.5305 |
| logSw: | -3.5181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.037 |
| InChI Key: | XHTPESJVWSWHTJ-UHFFFAOYSA-N |