4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5379 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperazine-2-carboxamide |
| Molecular Weight: | 497.49 |
| Molecular Formula: | C21 H22 F3 N5 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCN(CC1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.799 |
| logD: | 1.799 |
| logSw: | -2.8334 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.178 |
| InChI Key: | HCRYMXVRMKMZSJ-SFHVURJKSA-N |