4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-5495 |
| Compound Name: | 4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 573.68 |
| Molecular Formula: | C29 H34 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.834 |
| logD: | 5.8337 |
| logSw: | -5.6295 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.04 |
| InChI Key: | CMRBONBVJJLRKQ-UHFFFAOYSA-N |