N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | C656-0134 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C23 H23 F N6 O4 |
| Smiles: | COc1ccc(CCNC(CN2C=Nc3c(C2=O)nnn3Cc2ccc(cc2)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.6845 |
| logD: | 0.6845 |
| logSw: | -2.1801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.596 |
| InChI Key: | MAPAMMKTPUZUBR-UHFFFAOYSA-N |