2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]-N-(3-methoxyphenyl)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-methoxyphenyl)acetamide
2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D112-0020 |
| Compound Name: | 2-[({5-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)sulfanyl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C21 H19 F N6 O3 S |
| Smiles: | COc1cccc(c1)NC(CSCn1c2c(c(nc(Cc3ccc(cc3)F)n2)O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8905 |
| logD: | 1.5466 |
| logSw: | -3.3551 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.366 |
| InChI Key: | JKGAANSAPMWRNG-UHFFFAOYSA-N |