3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrophenyl)methoxy]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrophenyl)methoxy]-4H-pyrido[1,2-a]pyrimidin-4-one
3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrophenyl)methoxy]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | V004-0546 |
| Compound Name: | 3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrophenyl)methoxy]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 536.37 |
| Molecular Formula: | C26 H19 Cl2 N5 O4 |
| Smiles: | CC1=C(C(N2C=CC=C(C2=N1)OCc1ccc(cc1)[N+]([O-])=O)=O)c1cc(C)n(c2ccc(c(c2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3843 |
| logD: | 5.381 |
| logSw: | -5.9544 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.25 |
| InChI Key: | QBPWOAMPWANKLI-UHFFFAOYSA-N |