heptyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
heptyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
heptyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0829 |
| Compound Name: | heptyl 7-[5-bromo-2-(difluoromethoxy)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 500.34 |
| Molecular Formula: | C20 H24 Br F2 N5 O3 |
| Smiles: | CCCCCCCOC(C1C(c2cc(ccc2OC(F)F)[Br])n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.571 |
| logD: | 4.6143 |
| logSw: | -5.2276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.206 |
| InChI Key: | CGKYFZSUVNJOJC-KRWDZBQOSA-N |