3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(2,5-dimethylbenzene-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-(2,5-dimethylbenzene-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-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0001 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C26 H28 N6 O5 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc3c(c1)OCCO3)nn2)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4679 |
| logD: | 2.0139 |
| logSw: | -2.4028 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.088 |
| InChI Key: | ZHPRUXODMBNNFB-UHFFFAOYSA-N |