N-(2-methylpropyl)-4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-(2-methylpropyl)-4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
N-(2-methylpropyl)-4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | V027-8270 |
| Compound Name: | N-(2-methylpropyl)-4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 605.73 |
| Molecular Formula: | C33 H34 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8011 |
| logD: | 7.8008 |
| logSw: | -5.806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.85 |
| InChI Key: | MWWYNLKQHXNYTQ-UHFFFAOYSA-N |