N-(2-cyanoethyl)-4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl][1,1'-biphenyl]-4-sulfonamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl][1,1'-biphenyl]-4-sulfonamide
N-(2-cyanoethyl)-4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl][1,1'-biphenyl]-4-sulfonamide
Compound characteristics
| Compound ID: | 0180-0387 |
| Compound Name: | N-(2-cyanoethyl)-4'-nitro-N-[2-(pyrrolidin-1-yl)ethyl][1,1'-biphenyl]-4-sulfonamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | C1CCN(C1)CCN(CCC#N)S(c1ccc(cc1)c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2833 |
| logD: | 2.8845 |
| logSw: | -3.7783 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.521 |
| InChI Key: | GBDMNGZOMMGTFP-UHFFFAOYSA-N |