4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzoyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzoyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzoyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5429 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(3-fluorobenzoyl)-N-(2-methoxyethyl)piperazine-2-carboxamide |
| Molecular Weight: | 478.45 |
| Molecular Formula: | C23 H22 F4 N4 O3 |
| Smiles: | COCCNC(C1CN(CCN1C(c1cccc(c1)F)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6686 |
| logD: | 2.6686 |
| logSw: | -3.1497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.7 |
| InChI Key: | MDLNUVJDJGFRIX-FQEVSTJZSA-N |