ethyl 4-(2-{1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | Y501-5130 |
| Compound Name: | ethyl 4-(2-{1-[2-(3,4-diethoxyphenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 677.82 |
| Molecular Formula: | C36 H43 N3 O8 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(CCc2ccc(c(c2)OCC)OCC)C(N1CCc1ccc(c(c1)OC)OC)=S)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7185 |
| logD: | 4.7181 |
| logSw: | -4.4476 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.4 |
| InChI Key: | DWZJMRMDSHGPKM-MUUNZHRXSA-N |