N-(2,4-dimethylphenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide
N-(2,4-dimethylphenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D112-0008 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]acetamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C22 H21 F N6 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSCn1c2c(c(nc(Cc3ccc(cc3)F)n2)O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3066 |
| logD: | 1.9627 |
| logSw: | -3.3447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.124 |
| InChI Key: | WRDAHZUCBQBWKS-UHFFFAOYSA-N |