4-{1-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Chemical Structure Depiction of
4-{1-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
4-{1-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Compound characteristics
| Compound ID: | 3254-2507 |
| Compound Name: | 4-{1-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate |
| Molecular Weight: | 575.64 |
| Molecular Formula: | C29 H29 N5 O6 S |
| Smiles: | C\C(c1ccc(cc1)OC(C)=O)=N/NC(CSc1nnc(c2cc(c(c(c2)OC)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8017 |
| logD: | 3.8014 |
| logSw: | -4.1262 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.103 |
| InChI Key: | GPKCKXLBTIEDJQ-UHFFFAOYSA-N |