5-[(4-methylphenyl)methyl]-3-[(5-phenyl-2H-tetrazol-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[(4-methylphenyl)methyl]-3-[(5-phenyl-2H-tetrazol-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[(4-methylphenyl)methyl]-3-[(5-phenyl-2H-tetrazol-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D112-0003 |
| Compound Name: | 5-[(4-methylphenyl)methyl]-3-[(5-phenyl-2H-tetrazol-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 399.41 |
| Molecular Formula: | C20 H17 N9 O |
| Smiles: | Cc1ccc(Cc2nc(c3c(n2)n(Cn2nc(c4ccccc4)nn2)nn3)O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7913 |
| logD: | 0.9963 |
| logSw: | -2.7045 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.341 |
| InChI Key: | HZPPXLZBTVFAPE-UHFFFAOYSA-N |