4-{4-[(4-nitrophenyl)sulfanyl]anilino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{4-[(4-nitrophenyl)sulfanyl]anilino}-4-oxobutanoic acid
4-{4-[(4-nitrophenyl)sulfanyl]anilino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2372-2268 |
| Compound Name: | 4-{4-[(4-nitrophenyl)sulfanyl]anilino}-4-oxobutanoic acid |
| Molecular Weight: | 346.36 |
| Molecular Formula: | C16 H14 N2 O5 S |
| Smiles: | C(CC(Nc1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9648 |
| logD: | 0.0154 |
| logSw: | -3.6119 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.882 |
| InChI Key: | CGRVYDUXWURBKY-UHFFFAOYSA-N |