2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Chemical Structure Depiction of
2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Compound characteristics
| Compound ID: | 8012-0664 |
| Compound Name: | 2-(2,1,3-benzothiadiazole-4-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid |
| Molecular Weight: | 375.42 |
| Molecular Formula: | C16 H13 N3 O4 S2 |
| Smiles: | C1CN(C(C(O)=O)c2ccccc12)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4796 |
| logD: | -1.8562 |
| logSw: | -2.4402 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.333 |
| InChI Key: | ZZEZOZZLTSEWAP-OAHLLOKOSA-N |