methyl 2-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}benzoate
methyl 2-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}benzoate
Compound characteristics
| Compound ID: | C548-3165 |
| Compound Name: | methyl 2-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}benzoate |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C19 H18 N4 O5 S2 |
| Smiles: | COC(c1ccccc1NC(C1CCCN1S(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5707 |
| logD: | 2.3037 |
| logSw: | -3.0917 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.306 |
| InChI Key: | HKGLJTXBBPGHFL-HNNXBMFYSA-N |