N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-(3,4-dimethoxyphenyl)-2-[4-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-1H-imidazol-4-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-(3,4-dimethoxyphenyl)-2-[4-(methylsulfanyl)phenyl]-1H-imidazol-4-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C331-1943 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-(3,4-dimethoxyphenyl)-2-[4-(methylsulfanyl)phenyl]-1H-imidazol-4-yl}sulfanyl)acetamide |
| Molecular Weight: | 549.67 |
| Molecular Formula: | C28 H27 N3 O5 S2 |
| Smiles: | COc1ccc(cc1OC)c1c(nc(c2ccc(cc2)SC)[nH]1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0342 |
| logD: | 5.0342 |
| logSw: | -4.7358 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.149 |
| InChI Key: | ZFEMPIBIRKMIPJ-UHFFFAOYSA-N |