4-[(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-[(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate
4-[(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | 2357-3509 |
| Compound Name: | 4-[(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C27 H25 N5 O5 S |
| Smiles: | CC(=O)Oc1c(cc(/C=N/NC(CSc2nnc(c3ccccc3)n2c2ccccc2)=O)cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9658 |
| logD: | 3.9658 |
| logSw: | -4.1653 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.272 |
| InChI Key: | JTQQAEVXHAKMHN-UHFFFAOYSA-N |