N-[(oxolan-2-yl)methyl]-4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
N-[(oxolan-2-yl)methyl]-4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | V024-8256 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 633.74 |
| Molecular Formula: | C34 H34 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | C1CC(CNC(c2ccc(CSc3nc(cc(n3)N3CCN(CC3)c3cccc(c3)C(F)(F)F)c3ccccc3)cc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7664 |
| logD: | 6.7661 |
| logSw: | -6.3528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.232 |
| InChI Key: | ZOXAJRUJNMUDQG-GDLZYMKVSA-N |