4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V015-5381 |
| Compound Name: | 4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 581.66 |
| Molecular Formula: | C30 H30 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccco1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.8191 |
| logD: | 6.8187 |
| logSw: | -5.737 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.094 |
| InChI Key: | QUQGUHKBRFNKND-UHFFFAOYSA-N |