benzyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
benzyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4593-6131 |
| Compound Name: | benzyl 7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Smiles: | CCOc1cc(ccc1OCc1ccccc1)C1C(=C(C)Nc2ncnn12)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8527 |
| logD: | 4.6707 |
| logSw: | -4.8632 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.372 |
| InChI Key: | JAVXIKSTTDCKGD-MHZLTWQESA-N |