2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-0565 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide |
| Molecular Weight: | 544.59 |
| Molecular Formula: | C27 H24 N6 O5 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(N/N=C/C=C\c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.055 |
| logD: | 4.0548 |
| logSw: | -4.2724 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.059 |
| InChI Key: | WXIGUXOBIPZVPR-UHFFFAOYSA-N |