ethyl 4-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0082 |
| Compound Name: | ethyl 4-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C23 H21 F2 N5 O3 |
| Smiles: | CCOC(C1C(c2ccccc2)n2c(ncn2)N(CC(Nc2cc(ccc2F)F)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8849 |
| logD: | 3.8685 |
| logSw: | -3.816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.426 |
| InChI Key: | XXZAWGWMHCZFFG-OAQYLSRUSA-N |