heptyl 7-[5-chloro-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
heptyl 7-[5-chloro-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
heptyl 7-[5-chloro-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0775 |
| Compound Name: | heptyl 7-[5-chloro-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 454.9 |
| Molecular Formula: | C21 H25 Cl F2 N4 O3 |
| Smiles: | CCCCCCCOC(C1C(c2cc(ccc2OC(F)F)[Cl])n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7838 |
| logD: | 5.4955 |
| logSw: | -5.779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.729 |
| InChI Key: | GCCPKCACXZLMPS-SFHVURJKSA-N |