4-(2-chlorobenzoyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-(2-chlorobenzoyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
4-(2-chlorobenzoyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0270 |
| Compound Name: | 4-(2-chlorobenzoyl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 450.85 |
| Molecular Formula: | C21 H18 Cl F3 N4 O2 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5134 |
| logD: | 2.5134 |
| logSw: | -3.5104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.666 |
| InChI Key: | YNDJCQWKMQKDLN-SFHVURJKSA-N |