N-(2-methylpropyl)-5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide
N-(2-methylpropyl)-5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | V024-9981 |
| Compound Name: | N-(2-methylpropyl)-5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 533.62 |
| Molecular Formula: | C26 H30 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(C)cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0721 |
| logD: | 6.0719 |
| logSw: | -5.607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.769 |
| InChI Key: | RJIRXPWTTLZQBI-UHFFFAOYSA-N |