3-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-5-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
3-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-5-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-5-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D112-0007 |
| Compound Name: | 3-{[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-5-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 463.43 |
| Molecular Formula: | C21 H18 F N9 O3 |
| Smiles: | COc1ccc(cc1OC)c1nnn(Cn2c3c(c(nc(Cc4ccc(cc4)F)n3)O)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1245 |
| logD: | 0.3295 |
| logSw: | -2.3634 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.602 |
| InChI Key: | QGUJFCBTDMSOQT-UHFFFAOYSA-N |