dimethyl 5-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C548-3095 |
| Compound Name: | dimethyl 5-{[1-(2,1,3-benzothiadiazole-4-sulfonyl)prolyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 504.54 |
| Molecular Formula: | C21 H20 N4 O7 S2 |
| Smiles: | COC(c1cc(cc(c1)NC(C1CCCN1S(c1cccc2c1nsn2)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0364 |
| logD: | 3.0357 |
| logSw: | -3.4722 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.178 |
| InChI Key: | JLLHNQANZJFIKZ-INIZCTEOSA-N |