octyl 7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
octyl 7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0559 |
| Compound Name: | octyl 7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 411.55 |
| Molecular Formula: | C23 H33 N5 O2 |
| Smiles: | CCCCCCCCOC(C1C(c2ccc(cc2)N(C)C)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5424 |
| logD: | 5.2398 |
| logSw: | -5.2772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.842 |
| InChI Key: | WLPAGCYFJUKPJF-NRFANRHFSA-N |