2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D112-0006 |
| Compound Name: | 2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 492.45 |
| Molecular Formula: | C21 H16 F4 N6 O2 S |
| Smiles: | C(c1ccc(cc1)F)c1nc(c2c(n1)n(CSCC(Nc1cccc(c1)C(F)(F)F)=O)nn2)O |
| Stereo: | ACHIRAL |
| logP: | 3.8673 |
| logD: | 2.5234 |
| logSw: | -4.088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.822 |
| InChI Key: | XRBPPBBQAMTFCF-UHFFFAOYSA-N |