2-{1-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
Chemical Structure Depiction of
2-{1-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
2-{1-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
Compound characteristics
| Compound ID: | 8020-2148 |
| Compound Name: | 2-{1-(1,3-benzothiazol-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | COc1ccc(/C=C/c2nc(c3ccccc3O)n(c3nc4ccccc4s3)n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.2838 |
| logD: | 6.2723 |
| logSw: | -5.447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.952 |
| InChI Key: | LLYWHJBXNLIDBO-UHFFFAOYSA-N |