ethyl 4-[2-(4-bromoanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(4-bromoanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(4-bromoanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0230 |
| Compound Name: | ethyl 4-[2-(4-bromoanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 514.35 |
| Molecular Formula: | C23 H21 Br F N5 O3 |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)n2c(ncn2)N(CC(Nc2ccc(cc2)[Br])=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5762 |
| logD: | 4.5761 |
| logSw: | -4.2281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.124 |
| InChI Key: | CCAOUIXMXPTRIG-OAQYLSRUSA-N |