2-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-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-chlorophenoxy)methyl]-4-methoxyphenyl}-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-chlorophenoxy)methyl]-4-methoxyphenyl}-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: | Y500-9177 |
| Compound Name: | 2-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-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: | 555 |
| Molecular Formula: | C28 H23 Cl N8 O3 |
| Smiles: | Cc1c2C(C3=C(N=Cn4c3nc(c3ccc(c(COc5ccccc5[Cl])c3)OC)n4)Oc2n[nH]1)c1cnn(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0158 |
| logD: | 1.3975 |
| logSw: | -4.5562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.318 |
| InChI Key: | OCFDRFVJLSWPBR-QHCPKHFHSA-N |