(5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-yl)(pyrrolidin-1-yl)methanone
(5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V024-9935 |
| Compound Name: | (5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 531.6 |
| Molecular Formula: | C26 H28 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(C(N2CCCC2)=O)o1)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.8644 |
| logD: | 5.8642 |
| logSw: | -5.6041 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.098 |
| InChI Key: | ZHQAIWVIBPCVSD-UHFFFAOYSA-N |