3-{[5-(4-chlorophenyl)-2H-tetrazol-2-yl]methyl}-5-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
3-{[5-(4-chlorophenyl)-2H-tetrazol-2-yl]methyl}-5-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-{[5-(4-chlorophenyl)-2H-tetrazol-2-yl]methyl}-5-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D112-0015 |
| Compound Name: | 3-{[5-(4-chlorophenyl)-2H-tetrazol-2-yl]methyl}-5-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 433.86 |
| Molecular Formula: | C20 H16 Cl N9 O |
| Smiles: | Cc1ccc(Cc2nc(c3c(n2)n(Cn2nc(c4ccc(cc4)[Cl])nn2)nn3)O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4911 |
| logD: | 1.6961 |
| logSw: | -3.8124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.341 |
| InChI Key: | CPTGOBPWDYMZHI-UHFFFAOYSA-N |