methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 2739-0152 |
| Compound Name: | methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 575.68 |
| Molecular Formula: | C31 H33 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(CCc2ccccc2)C(N1CCc1ccc(c(c1)OC)OC)=S)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1995 |
| logD: | 4.1992 |
| logSw: | -4.3547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.4 |
| InChI Key: | VKKKFUHUWRHFOH-RUZDIDTESA-N |