(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(morpholin-4-yl)methanone
Chemical Structure Depiction of
(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(morpholin-4-yl)methanone
(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | V003-5732 |
| Compound Name: | (4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(morpholin-4-yl)methanone |
| Molecular Weight: | 571.66 |
| Molecular Formula: | C29 H32 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9742 |
| logD: | 4.9725 |
| logSw: | -4.7376 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.04 |
| InChI Key: | DQXZDXWPUIHILL-UHFFFAOYSA-N |