N-(2-cyanoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
N-(2-cyanoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | 0180-0396 |
| Compound Name: | N-(2-cyanoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 365.47 |
| Molecular Formula: | C15 H19 N5 O2 S2 |
| Smiles: | C1CCN(C1)CCN(CCC#N)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4532 |
| logD: | 1.0544 |
| logSw: | -2.0225 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.364 |
| InChI Key: | BBKRDQBCSVXELT-UHFFFAOYSA-N |