N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-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)methyl]-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: | C656-0130 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 436.4 |
| Molecular Formula: | C21 H17 F N6 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3058 |
| logD: | 1.3058 |
| logSw: | -2.2497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.609 |
| InChI Key: | QWOOJPQQRUAOLJ-UHFFFAOYSA-N |