4-(3-chloro-4-fluorobenzoyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-(3-chloro-4-fluorobenzoyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
4-(3-chloro-4-fluorobenzoyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0190 |
| Compound Name: | 4-(3-chloro-4-fluorobenzoyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 468.84 |
| Molecular Formula: | C21 H17 Cl F4 N4 O2 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5553 |
| logD: | 2.5553 |
| logSw: | -3.6219 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.666 |
| InChI Key: | BDOKXBQJSDIZOJ-SFHVURJKSA-N |