5-[1-(5-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D203-0025 |
| Compound Name: | 5-[1-(5-chloro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 516.98 |
| Molecular Formula: | C23 H22 Cl F N6 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(cc1)F)nn2)O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5466 |
| logD: | 3.0925 |
| logSw: | -3.6893 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.265 |
| InChI Key: | QEBDPNBJIVIDLV-UHFFFAOYSA-N |