1-{2-bromo-5-[(3-nitrophenyl)carbamoyl]benzene-1-sulfonyl}piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-{2-bromo-5-[(3-nitrophenyl)carbamoyl]benzene-1-sulfonyl}piperidine-4-carboxylic acid
1-{2-bromo-5-[(3-nitrophenyl)carbamoyl]benzene-1-sulfonyl}piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | 3558-0018 |
| Compound Name: | 1-{2-bromo-5-[(3-nitrophenyl)carbamoyl]benzene-1-sulfonyl}piperidine-4-carboxylic acid |
| Molecular Weight: | 512.33 |
| Molecular Formula: | C19 H18 Br N3 O7 S |
| Smiles: | C1CN(CCC1C(O)=O)S(c1cc(ccc1[Br])C(Nc1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5805 |
| logD: | 0.0202 |
| logSw: | -2.9804 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.83 |
| InChI Key: | PRVZUDWEAQUVSL-UHFFFAOYSA-N |