3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one
3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | V011-1656 |
| Compound Name: | 3-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 518.54 |
| Molecular Formula: | C29 H25 F3 N4 O2 |
| Smiles: | CC1=C(C(N2C=CC=C(C2=N1)OCc1ccc(cc1)C(F)(F)F)=O)c1cc(C)n(c2cc(C)ccc2C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9561 |
| logD: | 5.9529 |
| logSw: | -5.5123 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.568 |
| InChI Key: | PCZAEUKDHYIEMU-UHFFFAOYSA-N |