1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-({4-[(propan-2-yl)oxy]phenyl}methylidene)-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-({4-[(propan-2-yl)oxy]phenyl}methylidene)-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-({4-[(propan-2-yl)oxy]phenyl}methylidene)-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
Compound ID: | 6011-0566 |
Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-({4-[(propan-2-yl)oxy]phenyl}methylidene)-1H-1,2,3-triazole-4-carbohydrazide |
Molecular Weight: | 413.44 |
Molecular Formula: | C18 H23 N9 O3 |
Smiles: | CC(C)Oc1ccc(/C=N/NC(c2c(CN(C)C)n(c3c(N)non3)nn2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 1.3061 |
logD: | 0.8456 |
logSw: | -2.2432 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 128.845 |
InChI Key: | JJABZIDHPOCZBG-UHFFFAOYSA-N |