4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl 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-methoxyphenyl acetate
4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 3254-1556 |
| Compound Name: | 4-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 557.67 |
| Molecular Formula: | C30 H31 N5 O4 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/NC(CSc2nnc(c3ccc(cc3)C(C)(C)C)n2c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.9635 |
| logD: | 5.9634 |
| logSw: | -5.5634 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.555 |
| InChI Key: | JAFWIPBFQMCHEV-UHFFFAOYSA-N |