(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V024-8268 |
| Compound Name: | (4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 603.71 |
| Molecular Formula: | C33 H32 F3 N5 O S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3437 |
| logD: | 7.3434 |
| logSw: | -6.3667 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.179 |
| InChI Key: | CFTRRMZYXLKIJX-UHFFFAOYSA-N |