4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate
4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | 6011-0597 |
| Compound Name: | 4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 473.45 |
| Molecular Formula: | C19 H23 N9 O6 |
| Smiles: | CC(=O)Oc1c(cc(/C=N/NC(c2c(CN(C)C)n(c3c(N)non3)nn2)=O)cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 0.2204 |
| logD: | -0.24 |
| logSw: | -1.354 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 158.228 |
| InChI Key: | LGHSIQDBYRBVDN-UHFFFAOYSA-N |