1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | IB01-8380 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 619.23 |
| Molecular Formula: | C21 H17 Br2 N9 O4 |
| Smiles: | C1CN(Cc2c(C(N/N=C/c3cc(c(c(c3O)[Br])O)[Br])=O)nnn2c2c(N)non2)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.08 |
| logD: | 3.35 |
| logSw: | -5.03 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 257.54 |
| InChI Key: | OTZBBPOTPGYTGK-UHFFFAOYSA-N |