4-methoxy-3-({7-methyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl}methyl)benzaldehyde
Chemical Structure Depiction of
4-methoxy-3-({7-methyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl}methyl)benzaldehyde
4-methoxy-3-({7-methyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl}methyl)benzaldehyde
Compound characteristics
| Compound ID: | C200-8239 |
| Compound Name: | 4-methoxy-3-({7-methyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl}methyl)benzaldehyde |
| Molecular Weight: | 458.48 |
| Molecular Formula: | C24 H22 N6 O4 |
| Smiles: | Cc1ccc(CN2C3=NN(Cc4cc(C=O)ccc4OC)C(N3c3cn(C)nc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3879 |
| logD: | 2.3879 |
| logSw: | -2.6455 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.171 |
| InChI Key: | CGMCYNAQCGOVLA-UHFFFAOYSA-N |