N-[2-(3,4-dimethoxyphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | K666-0009 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C16 H17 N3 O4 S2 |
| Smiles: | COc1ccc(CCNS(c2cccc3c2nsn3)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3838 |
| logD: | 2.3821 |
| logSw: | -2.8097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.052 |
| InChI Key: | CDSMBCBPNQXEBB-UHFFFAOYSA-N |