octyl 5-methyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 5-methyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
octyl 5-methyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0494 |
| Compound Name: | octyl 5-methyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | CCCCCCCCOC(C1C(c2ccncc2)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2947 |
| logD: | 4.0062 |
| logSw: | -4.1313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.466 |
| InChI Key: | CEKZZGUSXVATKR-SFHVURJKSA-N |