(3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
(3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V005-2394 |
| Compound Name: | (3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 541.64 |
| Molecular Formula: | C28 H30 F3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(N1CCCC1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.8065 |
| logD: | 5.8062 |
| logSw: | -5.6105 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.257 |
| InChI Key: | QBIKUVPKXYGGOG-UHFFFAOYSA-N |