(4-ethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-2-yl)acetonitrile
Chemical Structure Depiction of
(4-ethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-2-yl)acetonitrile
(4-ethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-2-yl)acetonitrile
Compound characteristics
| Compound ID: | V004-1814 |
| Compound Name: | (4-ethyl-6-[4-(2-methylpropanoyl)piperazin-1-yl]-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-2-yl)acetonitrile |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C24 H28 F3 N5 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2cccc(c2)C(F)(F)F)c(nc(CC#N)n1)N1CCN(CC1)C(C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7034 |
| logD: | 4.7014 |
| logSw: | -4.5743 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.399 |
| InChI Key: | XBAVVBZCPIDRSK-UHFFFAOYSA-N |