1-[4-(5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carbonyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carbonyl)piperazin-1-yl]ethan-1-one
1-[4-(5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carbonyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V003-5451 |
| Compound Name: | 1-[4-(5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carbonyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 588.65 |
| Molecular Formula: | C28 H31 F3 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(C)cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7939 |
| logD: | 4.7937 |
| logSw: | -4.7234 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.928 |
| InChI Key: | QNMFDRJZYKTMCY-UHFFFAOYSA-N |