3-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}-4-chlorobenzoic acid
Chemical Structure Depiction of
3-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}-4-chlorobenzoic acid
3-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}-4-chlorobenzoic acid
Compound characteristics
| Compound ID: | C548-3269 |
| Compound Name: | 3-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}-4-chlorobenzoic acid |
| Molecular Weight: | 466.92 |
| Molecular Formula: | C18 H15 Cl N4 O5 S2 |
| Smiles: | C1CC(C(Nc2cc(ccc2[Cl])C(O)=O)=O)N(C1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1517 |
| logD: | 0.4069 |
| logSw: | -3.5665 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.54 |
| InChI Key: | UKXZWUIJEWPCOB-AWEZNQCLSA-N |