3-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}-2-methylbenzoic acid
Chemical Structure Depiction of
3-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}-2-methylbenzoic acid
3-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}-2-methylbenzoic acid
Compound characteristics
| Compound ID: | C548-3302 |
| Compound Name: | 3-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}-2-methylbenzoic acid |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C19 H18 N4 O5 S2 |
| Smiles: | Cc1c(cccc1NC(C1CCCN1S(c1cccc2c1nsn2)(=O)=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6275 |
| logD: | -0.2354 |
| logSw: | -3.249 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.54 |
| InChI Key: | PDHZOOJIRKOOTK-HNNXBMFYSA-N |