octyl 7-[2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 7-[2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
octyl 7-[2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0491 |
| Compound Name: | octyl 7-[2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C22 H28 F2 N4 O3 |
| Smiles: | CCCCCCCCOC(C1C(c2ccccc2OC(F)F)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6234 |
| logD: | 5.3351 |
| logSw: | -5.3037 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.729 |
| InChI Key: | SZGZIWUUEJACFQ-IBGZPJMESA-N |