N-benzyl-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide
N-benzyl-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide
Compound characteristics
| Compound ID: | V026-9862 |
| Compound Name: | N-benzyl-3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-methylbenzamide |
| Molecular Weight: | 605.73 |
| Molecular Formula: | C33 H34 F3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)SCc1cccc(c1)C(N(C)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1488 |
| logD: | 7.1471 |
| logSw: | -5.777 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.633 |
| InChI Key: | RRZHPIUXMWIMGO-UHFFFAOYSA-N |