N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Compound characteristics
| Compound ID: | C656-0119 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 422.37 |
| Molecular Formula: | C20 H15 F N6 O4 |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 1.6481 |
| logD: | 1.6481 |
| logSw: | -2.3768 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.287 |
| InChI Key: | OBXRSTOMTGHQRI-UHFFFAOYSA-N |