N-benzyl-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
N-benzyl-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide
Compound characteristics
| Compound ID: | V003-5508 |
| Compound Name: | N-benzyl-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide |
| Molecular Weight: | 621.73 |
| Molecular Formula: | C33 H34 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | CN(Cc1ccccc1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4719 |
| logD: | 6.4717 |
| logSw: | -5.8772 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.506 |
| InChI Key: | ADEOKNCTTJZPMM-UHFFFAOYSA-N |