5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide
Chemical Structure Depiction of
5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide
5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V024-9969 |
| Compound Name: | 5-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(pyridin-2-yl)ethyl]furan-2-carboxamide |
| Molecular Weight: | 582.65 |
| Molecular Formula: | C29 H29 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(C(NCCc2ccccn2)=O)o1)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5124 |
| logD: | 5.5122 |
| logSw: | -5.5061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.882 |
| InChI Key: | NMQKZXAFIZUCGO-UHFFFAOYSA-N |