N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C331-1942 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-1H-imidazol-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C29 H29 N3 O6 S |
| Smiles: | CCOc1ccc(cc1)c1nc(c(c2ccc(c(c2)OC)OC)[nH]1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6839 |
| logD: | 4.6839 |
| logSw: | -4.4086 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.272 |
| InChI Key: | NMRJYWDDNUWYSH-UHFFFAOYSA-N |