5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0080 |
| Compound Name: | 5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C23 H23 F N6 O4 S |
| Smiles: | COc1ccc(Cn2c3c(c(nc(C4CCN(CC4)S(c4ccccc4F)(=O)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5412 |
| logD: | 2.0872 |
| logSw: | -2.4566 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.809 |
| InChI Key: | CQFUMONEAUYXOV-UHFFFAOYSA-N |