6-cyclohexyl 2-methyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,6-dicarboxylate
Chemical Structure Depiction of
6-cyclohexyl 2-methyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,6-dicarboxylate
6-cyclohexyl 2-methyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,6-dicarboxylate
Compound characteristics
| Compound ID: | C202-0007 |
| Compound Name: | 6-cyclohexyl 2-methyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,6-dicarboxylate |
| Molecular Weight: | 475.34 |
| Molecular Formula: | C21 H23 Br N4 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)[Br])n2c(N1)nc(C(=O)OC)n2)C(=O)OC1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.958 |
| logD: | 4.0676 |
| logSw: | -4.5995 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.307 |
| InChI Key: | AWQKVRUZJISBHI-KRWDZBQOSA-N |