1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(3-methylphenoxy)acetyl]piperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(3-methylphenoxy)acetyl]piperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(3-methylphenoxy)acetyl]piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0248 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[(3-methylphenoxy)acetyl]piperazine-2-carboxamide |
| Molecular Weight: | 460.45 |
| Molecular Formula: | C23 H23 F3 N4 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCN(C(C1)C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4033 |
| logD: | 2.4033 |
| logSw: | -2.9195 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.638 |
| InChI Key: | QIFBVXIYIMOYTN-FQEVSTJZSA-N |