4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid
4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | R152-0801 |
| Compound Name: | 4-[(1-carboxy-2-{[(3-fluorophenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid |
| Molecular Weight: | 394.38 |
| Molecular Formula: | C17 H15 F N2 O6 S |
| Smiles: | C(C(C(O)=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O)SCc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9227 |
| logD: | -1.3856 |
| logSw: | -3.465 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.302 |
| InChI Key: | HZEKCEMPBQKDCG-AWEZNQCLSA-N |