2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | Y501-5129 |
| Compound Name: | 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 610.13 |
| Molecular Formula: | C31 H32 Cl N3 O6 S |
| Smiles: | CCOc1ccc(CCN2C(C(CC(Nc3ccc(cc3)[Cl])=O)N(Cc3ccc4c(c3)OCO4)C2=S)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.597 |
| logD: | 4.5966 |
| logSw: | -4.6917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.523 |
| InChI Key: | XYSUFADOIQCTMK-DEOSSOPVSA-N |