3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0078 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 526.55 |
| Molecular Formula: | C24 H23 F N6 O5 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccc3c(c1)OCCO3)nn2)O)S(c1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5695 |
| logD: | 1.1155 |
| logSw: | -2.2728 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.088 |
| InChI Key: | JRIPEFZRDXQEMV-UHFFFAOYSA-N |