3-[(4-methylphenyl)methyl]-5-{1-[4-(trifluoromethoxy)benzene-1-sulfonyl]piperidin-4-yl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-5-{1-[4-(trifluoromethoxy)benzene-1-sulfonyl]piperidin-4-yl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-[(4-methylphenyl)methyl]-5-{1-[4-(trifluoromethoxy)benzene-1-sulfonyl]piperidin-4-yl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D203-0057 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-5-{1-[4-(trifluoromethoxy)benzene-1-sulfonyl]piperidin-4-yl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 548.54 |
| Molecular Formula: | C24 H23 F3 N6 O4 S |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)S(c4ccc(cc4)OC(F)(F)F)(=O)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3118 |
| logD: | 3.8578 |
| logSw: | -4.1908 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.201 |
| InChI Key: | YTZWLHKBQAZNTH-UHFFFAOYSA-N |