dimethyl 5-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C481-0075 |
| Compound Name: | dimethyl 5-{[N-(2,1,3-benzothiadiazole-4-sulfonyl)-N-methylglycyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C19 H18 N4 O7 S2 |
| Smiles: | CN(CC(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0387 |
| logD: | 3.0385 |
| logSw: | -3.416 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.252 |
| InChI Key: | PZRXQQHUAUPFRO-UHFFFAOYSA-N |