2-{3-[(3-chlorophenoxy)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-[(3-chlorophenoxy)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-[(3-chlorophenoxy)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: | Y504-4954 |
| Compound Name: | 2-{3-[(3-chlorophenoxy)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: | 524.97 |
| Molecular Formula: | C27 H21 Cl N8 O2 |
| Smiles: | Cc1c2C(C3=C(N=Cn4c3nc(c3cccc(COc5cccc(c5)[Cl])c3)n4)Oc2n[nH]1)c1cnn(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4527 |
| logD: | 1.8344 |
| logSw: | -4.7264 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.601 |
| InChI Key: | BINXQRNICUNGCY-QFIPXVFZSA-N |