ethyl 7-(4-fluorophenyl)-5-methyl-4-{2-[(naphthalen-2-yl)amino]-2-oxoethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-fluorophenyl)-5-methyl-4-{2-[(naphthalen-2-yl)amino]-2-oxoethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-fluorophenyl)-5-methyl-4-{2-[(naphthalen-2-yl)amino]-2-oxoethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | D529-0246 |
Compound Name: | ethyl 7-(4-fluorophenyl)-5-methyl-4-{2-[(naphthalen-2-yl)amino]-2-oxoethyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 485.52 |
Molecular Formula: | C27 H24 F N5 O3 |
Smiles: | CCOC(C1C(c2ccc(cc2)F)n2c(ncn2)N(CC(Nc2ccc3ccccc3c2)=O)C=1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9581 |
logD: | 4.9581 |
logSw: | -5.1069 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.852 |
InChI Key: | OEVCKQOZYVQJDA-VWLOTQADSA-N |