ethyl 4-{3-[(3,4-dimethoxyphenyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(3,4-dimethoxyphenyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[(3,4-dimethoxyphenyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
Compound ID: | 8014-8566 |
Compound Name: | ethyl 4-{3-[(3,4-dimethoxyphenyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
Molecular Weight: | 565.62 |
Molecular Formula: | C29 H28 F N3 O6 S |
Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(Cc2ccc(c(c2)OC)OC)C1=S)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7515 |
logD: | 3.751 |
logSw: | -4.1763 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.412 |
InChI Key: | RFWLXYXKNCENOD-HSZRJFAPSA-N |