5-[1-(4-fluorobenzene-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-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(4-fluorobenzene-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: | D122-0087 |
| Compound Name: | 5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(naphthalen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C26 H23 F N6 O3 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccc3ccccc3c1)nn2)O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0376 |
| logD: | 3.5835 |
| logSw: | -4.0389 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.993 |
| InChI Key: | OITSRFUUBRJTQH-UHFFFAOYSA-N |