1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N'-[(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N'-[(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N'-[(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8007-8922 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N'-[(3,4-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 503.52 |
| Molecular Formula: | C24 H25 N9 O4 |
| Smiles: | COc1ccc(/C=N/NC(c2c(CN3CCc4ccccc4C3)n(c3c(N)non3)nn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4168 |
| logD: | 2.3655 |
| logSw: | -2.8711 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 136.81 |
| InChI Key: | ICVFGVAIRAHIPS-UHFFFAOYSA-N |