3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
Chemical Structure Depiction of
3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
Compound characteristics
| Compound ID: | V027-5600 |
| Compound Name: | 3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide |
| Molecular Weight: | 529.63 |
| Molecular Formula: | C27 H30 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CCNC(c1cccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6489 |
| logD: | 5.6472 |
| logSw: | -5.4987 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.793 |
| InChI Key: | OZEIRXYCMHVWNI-UHFFFAOYSA-N |