4-[4-(3-chloro-4-fluorobenzoyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(3-chloro-4-fluorobenzoyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(3-chloro-4-fluorobenzoyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5163 |
| Compound Name: | 4-[4-(3-chloro-4-fluorobenzoyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 455.84 |
| Molecular Formula: | C21 H18 Cl F4 N3 O2 |
| Smiles: | COCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5564 |
| logD: | 3.5564 |
| logSw: | -4.056 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.207 |
| InChI Key: | NOOLXQHNNKTCOA-MRXNPFEDSA-N |