6-cyclohexyl 2-methyl 7-(3-chlorophenyl)-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-(3-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,6-dicarboxylate
6-cyclohexyl 2-methyl 7-(3-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,6-dicarboxylate
Compound characteristics
| Compound ID: | C193-0147 |
| Compound Name: | 6-cyclohexyl 2-methyl 7-(3-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2,6-dicarboxylate |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C21 H23 Cl N4 O4 |
| Smiles: | CC1=C(C(c2cccc(c2)[Cl])n2c(N1)nc(C(=O)OC)n2)C(=O)OC1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7271 |
| logD: | 3.8366 |
| logSw: | -4.8558 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.307 |
| InChI Key: | JYUMMFTUIWAPFT-KRWDZBQOSA-N |