5-methyl-2-(propan-2-yl)cyclohexyl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
5-methyl-2-(propan-2-yl)cyclohexyl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0326 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl 7-(5-bromo-2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 503.44 |
| Molecular Formula: | C24 H31 Br N4 O3 |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(C1C(c2cc(ccc2OC)[Br])n2c(NC=1C)ncn2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5668 |
| logD: | 6.2785 |
| logSw: | -5.5956 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.647 |
| InChI Key: | RGEHWBRWIPURQI-UHFFFAOYSA-N |