2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | D295-0187 |
| Compound Name: | 2-[({3-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}methyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 463.88 |
| Molecular Formula: | C18 H15 Cl F N7 O3 S |
| Smiles: | Cc1cc(NC(CSCc2nc(c3c(n2)n(Cc2c(cccc2[Cl])F)nn3)O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.7319 |
| logD: | 1.418 |
| logSw: | -3.2896 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.489 |
| InChI Key: | FSJSGADYUCDNJI-UHFFFAOYSA-N |