4-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
4-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-sulfonyl)benzonitrile
4-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | S690-0804 |
| Compound Name: | 4-(4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | C1CCN(C1)C(c1ccc(CC2CCN(CC2)S(c2ccc(C#N)cc2)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6809 |
| logD: | 3.6809 |
| logSw: | -4.0498 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.748 |
| InChI Key: | HQBKSBRBKOUPAS-UHFFFAOYSA-N |