N-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alanine
N-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | K906-1163 |
| Compound Name: | N-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alanine |
| Molecular Weight: | 287.31 |
| Molecular Formula: | C9 H9 N3 O4 S2 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3941 |
| logD: | -2.4648 |
| logSw: | -2.1268 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.446 |
| InChI Key: | MRJJNXSJOOEQAA-UHFFFAOYSA-N |