4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | 3254-1609 |
| Compound Name: | 4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 587.7 |
| Molecular Formula: | C31 H33 N5 O5 S |
| Smiles: | CC(=O)Oc1c(cc(/C=N/NC(CSc2nnc(c3ccc(cc3)C(C)(C)C)n2c2ccccc2)=O)cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8654 |
| logD: | 5.8653 |
| logSw: | -5.5218 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.272 |
| InChI Key: | PUCJJCQKGGTFPP-UHFFFAOYSA-N |