3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-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-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0010 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C25 H26 N6 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCCC(C1)c1nc(c2c(n1)n(Cc1ccc3c(c1)OCCO3)nn2)O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9935 |
| logD: | 1.5395 |
| logSw: | -2.546 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.021 |
| InChI Key: | AHNUFWZOYAGBOF-SFHVURJKSA-N |