4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5388 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 461.44 |
| Molecular Formula: | C22 H22 F3 N5 O3 |
| Smiles: | Cc1c(C(N2CCN(CC2C(NC2CC2)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0484 |
| logD: | 2.0484 |
| logSw: | -3.0077 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.339 |
| InChI Key: | XFMXNKQMXCQZNC-SFHVURJKSA-N |