1-{4-[4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
1-{4-[4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V026-5697 |
| Compound Name: | 1-{4-[4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 628.72 |
| Molecular Formula: | C31 H35 F3 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.306 |
| logD: | 4.3058 |
| logSw: | -4.3946 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.199 |
| InChI Key: | PZAFDBOCXFNADX-UHFFFAOYSA-N |