cyclohexyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
cyclohexyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
cyclohexyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0060 |
| Compound Name: | cyclohexyl 7-(3-bromo-4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 447.33 |
| Molecular Formula: | C20 H23 Br N4 O3 |
| Smiles: | CC1=C(C(c2ccc(c(c2)[Br])OC)n2c(N1)ncn2)C(=O)OC1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4063 |
| logD: | 4.118 |
| logSw: | -4.3475 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.704 |
| InChI Key: | LMRCUAQROUNCDG-SFHVURJKSA-N |