heptyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
heptyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
heptyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0571 |
| Compound Name: | heptyl 7-(4-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 433.35 |
| Molecular Formula: | C20 H25 Br N4 O2 |
| Smiles: | CCCCCCCOC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7904 |
| logD: | 5.5021 |
| logSw: | -5.3879 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.038 |
| InChI Key: | PHVNPBASQGELAT-SFHVURJKSA-N |