2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(3-phenylprop-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-phenylprop-2-en-1-ylidene)acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(3-phenylprop-2-en-1-ylidene)acetohydrazide
Compound characteristics
| Compound ID: | 2357-3626 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(3-phenylprop-2-en-1-ylidene)acetohydrazide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(N/N=C/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4764 |
| logD: | 4.4762 |
| logSw: | -4.4026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.979 |
| InChI Key: | YUVXEGWWCPOHCI-UHFFFAOYSA-N |