ethyl 7-(2H-1,3-benzodioxol-5-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(2H-1,3-benzodioxol-5-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(2H-1,3-benzodioxol-5-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3339-3678 |
| Compound Name: | ethyl 7-(2H-1,3-benzodioxol-5-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 328.33 |
| Molecular Formula: | C16 H16 N4 O4 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3906 |
| logD: | 2.1023 |
| logSw: | -2.952 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.859 |
| InChI Key: | MTSAMAIORXSMGE-AWEZNQCLSA-N |