4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5336 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C22 H22 F3 N5 O2 S |
| Smiles: | Cc1c(C(N2CCN(CC2C(NC2CC2)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9239 |
| logD: | 2.9238 |
| logSw: | -3.4256 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.689 |
| InChI Key: | HSHUPQPBDACEMM-SFHVURJKSA-N |