N-tert-butyl-4-[2-(cyanomethyl)-6-ethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[2-(cyanomethyl)-6-ethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl]piperazine-1-carboxamide
N-tert-butyl-4-[2-(cyanomethyl)-6-ethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V027-8575 |
| Compound Name: | N-tert-butyl-4-[2-(cyanomethyl)-6-ethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl]piperazine-1-carboxamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C25 H31 F3 N6 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2cccc(c2)C(F)(F)F)c(nc(CC#N)n1)N1CCN(CC1)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0788 |
| logD: | 5.0768 |
| logSw: | -5.061 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.366 |
| InChI Key: | KYPLHYHHUGMDEP-UHFFFAOYSA-N |