(3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
(3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-5648 |
| Compound Name: | (3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C29 H32 F3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)SCc1cccc(c1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0534 |
| logD: | 6.0517 |
| logSw: | -5.604 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.497 |
| InChI Key: | ZCCRWYVRJZGPHW-UHFFFAOYSA-N |