1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-[(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-[(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-[(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
Compound ID: | 8008-0942 |
Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-[(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide |
Molecular Weight: | 522.52 |
Molecular Formula: | C20 H14 N10 O4 S2 |
Smiles: | C(c1c(C(N/N=C/c2ccc(cc2)[N+]([O-])=O)=O)nnn1c1c(N)non1)Sc1nc2ccccc2s1 |
Stereo: | ACHIRAL |
logP: | 3.8382 |
logD: | 3.8193 |
logSw: | -4.2381 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 160.347 |
InChI Key: | TVNVRLRAXBUXJP-UHFFFAOYSA-N |