2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1555 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C30 H33 N5 O3 S |
| Smiles: | CCOc1ccc(/C=N/NC(CSc2nnc(c3ccc(cc3)C(C)(C)C)n2c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.3956 |
| logD: | 6.3955 |
| logSw: | -5.6904 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.927 |
| InChI Key: | QMIFQHMPOICHCA-UHFFFAOYSA-N |