N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Compound characteristics
| Compound ID: | C656-0264 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 438.83 |
| Molecular Formula: | C20 H15 Cl N6 O4 |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2137 |
| logD: | 2.2137 |
| logSw: | -3.2653 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.287 |
| InChI Key: | HXAUEKUYCMLSEB-UHFFFAOYSA-N |