2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethan-1-one
2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-6270 |
| Compound Name: | 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C26 H23 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)C(CSc1nnc(C2COc3ccccc3O2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3714 |
| logD: | 4.3714 |
| logSw: | -4.4812 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.657 |
| InChI Key: | ZQSQUIWGKQCKGQ-DEOSSOPVSA-N |