3-[4-bromo-3-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid
Chemical Structure Depiction of
3-[4-bromo-3-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid
3-[4-bromo-3-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid
Compound characteristics
| Compound ID: | 3019-0705 |
| Compound Name: | 3-[4-bromo-3-(pyrrolidine-1-sulfonyl)benzamido]benzoic acid |
| Molecular Weight: | 453.31 |
| Molecular Formula: | C18 H17 Br N2 O5 S |
| Smiles: | C1CCN(C1)S(c1cc(ccc1[Br])C(Nc1cccc(c1)C(O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6712 |
| logD: | 0.7854 |
| logSw: | -4.0086 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.815 |
| InChI Key: | XDOKWLMPVGYUMF-UHFFFAOYSA-N |