N-(2-cyanoethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,1,3-benzothiadiazole-4-sulfonamide
N-(2-cyanoethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | 0180-0380 |
| Compound Name: | N-(2-cyanoethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C16 H23 N5 O2 S2 |
| Smiles: | CC(C)(CN(C)C)CN(CCC#N)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6606 |
| logD: | 0.0489 |
| logSw: | -2.179 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.196 |
| InChI Key: | NFJQBUZOCYLHDJ-UHFFFAOYSA-N |