N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Chemical Structure Depiction of
N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Compound characteristics
| Compound ID: | 3254-2399 |
| Compound Name: | N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| Molecular Weight: | 574.62 |
| Molecular Formula: | C28 H26 N6 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(N/N=C/C=C\c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.915 |
| logD: | 3.9147 |
| logSw: | -4.1025 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.776 |
| InChI Key: | JAPAGKSLSNUPKD-UHFFFAOYSA-N |