2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y504-4956 |
| Compound Name: | 2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 518.58 |
| Molecular Formula: | C29 H26 N8 O2 |
| Smiles: | Cc1ccc(c(C)c1)OCc1cccc(c1)c1nc2C3C(c4cnn(C)c4)c4c(n[nH]c4C)OC=3N=Cn2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7814 |
| logD: | 2.1631 |
| logSw: | -4.6579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.688 |
| InChI Key: | PAXVVWYVBHHYPG-XMMPIXPASA-N |