2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzoic acid
2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | 8011-7077 |
| Compound Name: | 2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzoic acid |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C17 H17 N O3 S |
| Smiles: | C(CNC(CSc1ccccc1C(O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4233 |
| logD: | -0.1881 |
| logSw: | -2.7487 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.688 |
| InChI Key: | DGZXMEKIPUTQGH-UHFFFAOYSA-N |