3-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Chemical Structure Depiction of
3-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
3-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Compound characteristics
| Compound ID: | 8012-3208 |
| Compound Name: | 3-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid |
| Molecular Weight: | 423.46 |
| Molecular Formula: | C17 H17 N3 O6 S2 |
| Smiles: | COc1ccc(cc1OC)C(CC(O)=O)NS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8071 |
| logD: | -0.9938 |
| logSw: | -2.5226 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.438 |
| InChI Key: | KGGWBRHSXYJWQF-LBPRGKRZSA-N |