4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3-methoxyphenyl)-N~3~-methylpiperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3-methoxyphenyl)-N~3~-methylpiperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3-methoxyphenyl)-N~3~-methylpiperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0269 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3-methoxyphenyl)-N~3~-methylpiperazine-1,3-dicarboxamide |
| Molecular Weight: | 461.44 |
| Molecular Formula: | C22 H22 F3 N5 O3 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1cccc(c1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5639 |
| logD: | 2.5639 |
| logSw: | -3.1697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.031 |
| InChI Key: | FBERXWCVMXMICV-IBGZPJMESA-N |