3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | 6732-0210 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 424.8 |
| Molecular Formula: | C19 H13 Cl N6 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)n1c2c(c(nc(C(Nc3cccc(c3)[Cl])=O)n2)O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.7666 |
| logD: | 0.9233 |
| logSw: | -3.3943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.032 |
| InChI Key: | YOVYNDPBECKPIK-UHFFFAOYSA-N |