methyl 4-{[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
methyl 4-{[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 3254-2431 |
| Compound Name: | methyl 4-{[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate |
| Molecular Weight: | 561.62 |
| Molecular Formula: | C28 H27 N5 O6 S |
| Smiles: | COC(c1ccc(/C=N/NC(CSc2nnc(c3cc(c(c(c3)OC)OC)OC)n2c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0632 |
| logD: | 4.063 |
| logSw: | -4.2041 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.238 |
| InChI Key: | BDQUDRAKKINYFO-UHFFFAOYSA-N |