4-[(2-anilino-2-oxoethyl)sulfanyl]butanoic acid
Chemical Structure Depiction of
4-[(2-anilino-2-oxoethyl)sulfanyl]butanoic acid
4-[(2-anilino-2-oxoethyl)sulfanyl]butanoic acid
Compound characteristics
| Compound ID: | 8013-7505 |
| Compound Name: | 4-[(2-anilino-2-oxoethyl)sulfanyl]butanoic acid |
| Molecular Weight: | 253.32 |
| Molecular Formula: | C12 H15 N O3 S |
| Smiles: | C(CC(O)=O)CSCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3419 |
| logD: | -1.4862 |
| logSw: | -1.889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | KWFMMVRSEBNGMJ-UHFFFAOYSA-N |