ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(methylamino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(methylamino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(methylamino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8011-0509 |
| Compound Name: | ethyl 4-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(methylamino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(NC)=O)N(CCc2ccc(c(c2)OC)OC)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0923 |
| logD: | 2.0923 |
| logSw: | -2.9239 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.134 |
| InChI Key: | YNSIUKZDUISMHU-LJQANCHMSA-N |