5-[1-(5-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[1-(5-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(5-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D203-0055 |
| Compound Name: | 5-[1-(5-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 513.02 |
| Molecular Formula: | C24 H25 Cl N6 O3 S |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)S(c4cc(ccc4C)[Cl])(=O)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9409 |
| logD: | 3.4869 |
| logSw: | -4.0388 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.265 |
| InChI Key: | WJCKQYSUKKBUPZ-UHFFFAOYSA-N |