tert-butyl ({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate
Chemical Structure Depiction of
tert-butyl ({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate
tert-butyl ({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate
Compound characteristics
| Compound ID: | V004-3563 |
| Compound Name: | tert-butyl ({3-[1-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)acetate |
| Molecular Weight: | 480.95 |
| Molecular Formula: | C25 H25 Cl N4 O4 |
| Smiles: | CC1=C(C(N2C=CC=C(C2=N1)OCC(=O)OC(C)(C)C)=O)c1cc(C)n(c2ccc(cc2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9697 |
| logD: | 3.9692 |
| logSw: | -4.3909 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.408 |
| InChI Key: | DMYUEZSVRWOYCE-UHFFFAOYSA-N |