N-ethyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-ethyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
N-ethyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | V024-6564 |
| Compound Name: | N-ethyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 529.63 |
| Molecular Formula: | C27 H30 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(NCC)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.7077 |
| logD: | 5.7073 |
| logSw: | -5.4961 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.242 |
| InChI Key: | VYGLXFALPTXDDH-UHFFFAOYSA-N |