N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C331-1912 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | Cc1ccc(cc1)c1c(nc(c2ccc(c(c2)OC)OC)[nH]1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8053 |
| logD: | 4.805 |
| logSw: | -4.6277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.149 |
| InChI Key: | YFQYUIJXNDWYAA-UHFFFAOYSA-N |