ethyl 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0157 |
| Compound Name: | ethyl 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C28 H31 F N6 O3 |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)n2c(ncn2)N(CC(N2CCN(CC2)c2ccc(cc2)F)=O)C=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.851 |
| logD: | 3.851 |
| logSw: | -3.7606 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.627 |
| InChI Key: | UBRMEMBTQUKUEX-AREMUKBSSA-N |