benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4358-6042 |
| Compound Name: | benzyl 7-[4-(benzyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C27 H24 N4 O3 |
| Smiles: | CC1=C(C(c2ccc(cc2)OCc2ccccc2)n2c(N1)ncn2)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9179 |
| logD: | 4.7358 |
| logSw: | -4.8702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.075 |
| InChI Key: | GFOUPHNAKLZERL-VWLOTQADSA-N |