3-{4-[4-(pyrrolidine-1-sulfonyl)benzene-1-sulfonyl]piperazin-1-yl}propanenitrile
Chemical Structure Depiction of
3-{4-[4-(pyrrolidine-1-sulfonyl)benzene-1-sulfonyl]piperazin-1-yl}propanenitrile
3-{4-[4-(pyrrolidine-1-sulfonyl)benzene-1-sulfonyl]piperazin-1-yl}propanenitrile
Compound characteristics
| Compound ID: | 6732-0146 |
| Compound Name: | 3-{4-[4-(pyrrolidine-1-sulfonyl)benzene-1-sulfonyl]piperazin-1-yl}propanenitrile |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C17 H24 N4 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)S(N1CCN(CCC#N)CC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6152 |
| logD: | 0.6151 |
| logSw: | -2.1484 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.309 |
| InChI Key: | NEHULJRCZBWBNO-UHFFFAOYSA-N |