dimethyl 5-{4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]butanamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]butanamido}benzene-1,3-dicarboxylate
dimethyl 5-{4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]butanamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C481-0074 |
| Compound Name: | dimethyl 5-{4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]butanamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C20 H20 N4 O7 S2 |
| Smiles: | COC(c1cc(cc(c1)NC(CCCNS(c1cccc2c1nsn2)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7978 |
| logD: | 2.7942 |
| logSw: | -3.5057 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.288 |
| InChI Key: | XOXLPJJMACWJMN-UHFFFAOYSA-N |