5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-3-yl]-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-3-yl]-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-3-yl]-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0009 |
| Compound Name: | 5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-3-yl]-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 543 |
| Molecular Formula: | C24 H23 Cl N6 O5 S |
| Smiles: | C1CC(CN(C1)S(c1cccc(c1)[Cl])(=O)=O)c1nc(c2c(n1)n(Cc1ccc3c(c1)OCCO3)nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1646 |
| logD: | 1.7106 |
| logSw: | -2.6582 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.021 |
| InChI Key: | PKIKIRVUEMAEKH-INIZCTEOSA-N |