3-[({3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile
Chemical Structure Depiction of
3-[({3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile
3-[({3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | V004-0503 |
| Compound Name: | 3-[({3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzonitrile |
| Molecular Weight: | 516.39 |
| Molecular Formula: | C27 H19 Cl2 N5 O2 |
| Smiles: | CC1=C(C(N2C=CC=C(C2=N1)OCc1cccc(C#N)c1)=O)c1cc(C)n(c2ccc(c(c2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0831 |
| logD: | 5.0798 |
| logSw: | -5.4878 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.925 |
| InChI Key: | CGFNFAKZABENFU-UHFFFAOYSA-N |