5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0088 |
| Compound Name: | 5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C28 H28 N6 O3 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc3ccccc3c1)nn2)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7686 |
| logD: | 4.3146 |
| logSw: | -5.1642 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.993 |
| InChI Key: | FDGUESZOOHLQOP-UHFFFAOYSA-N |