benzyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
benzyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C551-0111 |
| Compound Name: | benzyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 491.29 |
| Molecular Formula: | C21 H17 Br F2 N4 O3 |
| Smiles: | CC1=C(C(c2cc(ccc2OC(F)F)[Br])n2c(N1)ncn2)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4583 |
| logD: | 4.2762 |
| logSw: | -4.6309 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.539 |
| InChI Key: | ANGHIILTLFLYMH-SFHVURJKSA-N |