7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | K832-4113 |
Compound Name: | 7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 398.41 |
Molecular Formula: | C21 H20 F2 N4 O2 |
Smiles: | CCOc1cc(ccc1OC(F)F)C1C=C(c2ccc(C)cc2)Nc2ncnn12 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0892 |
logD: | 4.0878 |
logSw: | -4.2001 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.502 |
InChI Key: | JXCJNBKLGHDBDY-KRWDZBQOSA-N |