2-{3-[(4-chloro-2-methylphenoxy)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-[(4-chloro-2-methylphenoxy)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-[(4-chloro-2-methylphenoxy)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: | Y503-4785 |
| Compound Name: | 2-{3-[(4-chloro-2-methylphenoxy)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: | 539 |
| Molecular Formula: | C28 H23 Cl N8 O2 |
| Smiles: | Cc1cc(ccc1OCc1cccc(c1)c1nc2C3C(c4cnn(C)c4)c4c(n[nH]c4C)OC=3N=Cn2n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1595 |
| logD: | 2.5411 |
| logSw: | -5.8435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.688 |
| InChI Key: | JSFSHGDVEJUSLO-QHCPKHFHSA-N |