2-(4-{2-[bis(4-chlorophenyl)methoxy]ethyl}piperazine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
2-(4-{2-[bis(4-chlorophenyl)methoxy]ethyl}piperazine-1-sulfonyl)benzonitrile
2-(4-{2-[bis(4-chlorophenyl)methoxy]ethyl}piperazine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | V006-3752 |
| Compound Name: | 2-(4-{2-[bis(4-chlorophenyl)methoxy]ethyl}piperazine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 530.47 |
| Molecular Formula: | C26 H25 Cl2 N3 O3 S |
| Smiles: | C1CN(CCN1CCOC(c1ccc(cc1)[Cl])c1ccc(cc1)[Cl])S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2933 |
| logD: | 5.2862 |
| logSw: | -6.2306 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.427 |
| InChI Key: | TWNPHCVACQSACM-UHFFFAOYSA-N |