1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(2,5-dimethylfuran-3-carbonyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(2,5-dimethylfuran-3-carbonyl)-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(2,5-dimethylfuran-3-carbonyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0175 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(2,5-dimethylfuran-3-carbonyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 434.42 |
| Molecular Formula: | C21 H21 F3 N4 O3 |
| Smiles: | Cc1cc(C(N2CCN(C(C2)C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1022 |
| logD: | 2.1022 |
| logSw: | -3.0152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.413 |
| InChI Key: | ZJVQWCXOPVEGCU-SFHVURJKSA-N |