dimethyl 5-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C113-0631 |
| Compound Name: | dimethyl 5-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C15 H13 N3 O6 S3 |
| Smiles: | Cc1c(C(=O)OC)c(NS(c2cccc3c2nsn3)(=O)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4858 |
| logD: | -3.3295 |
| logSw: | -2.7544 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.983 |
| InChI Key: | LVOKNTNIHHSWKT-UHFFFAOYSA-N |