4-{[2-(benzylsulfanyl)ethyl]amino}-3-nitrobenzoic acid
Chemical Structure Depiction of
4-{[2-(benzylsulfanyl)ethyl]amino}-3-nitrobenzoic acid
4-{[2-(benzylsulfanyl)ethyl]amino}-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0465 |
| Compound Name: | 4-{[2-(benzylsulfanyl)ethyl]amino}-3-nitrobenzoic acid |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C16 H16 N2 O4 S |
| Smiles: | C(CSCc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9523 |
| logD: | 1.1327 |
| logSw: | -4.1483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.105 |
| InChI Key: | IXCVCXAVDUQJHX-UHFFFAOYSA-N |