N'-[(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Chemical Structure Depiction of
N'-[(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
N'-[(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Compound characteristics
Compound ID: | 3254-2477 |
Compound Name: | N'-[(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
Molecular Weight: | 548.58 |
Molecular Formula: | C26 H24 N6 O6 S |
Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(N/N=C/c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8981 |
logD: | 3.8979 |
logSw: | -4.0439 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 116.446 |
InChI Key: | HCPRHWDXINKEOG-UHFFFAOYSA-N |