(4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-2-yl)acetonitrile
Chemical Structure Depiction of
(4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-2-yl)acetonitrile
(4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-2-yl)acetonitrile
Compound characteristics
| Compound ID: | V004-1826 |
| Compound Name: | (4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-2-yl)acetonitrile |
| Molecular Weight: | 527.98 |
| Molecular Formula: | C27 H25 Cl F3 N5 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2cccc(c2)C(F)(F)F)c(nc(CC#N)n1)N1CCN(CC1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4662 |
| logD: | 5.4641 |
| logSw: | -5.8077 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.128 |
| InChI Key: | CTKZJXQTSQLNQD-UHFFFAOYSA-N |