methyl 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]benzoate
Chemical Structure Depiction of
methyl 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]benzoate
methyl 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]benzoate
Compound characteristics
| Compound ID: | V004-0525 |
| Compound Name: | methyl 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]benzoate |
| Molecular Weight: | 549.41 |
| Molecular Formula: | C28 H22 Cl2 N4 O4 |
| Smiles: | CC1=C(C(N2C=CC=C(C2=N1)OCc1cccc(c1)C(=O)OC)=O)c1cc(C)n(c2ccc(c(c2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4934 |
| logD: | 5.4902 |
| logSw: | -6.0414 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.042 |
| InChI Key: | HLVNNINODJGSFW-UHFFFAOYSA-N |