ethyl 4-(4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8014-2821 |
| Compound Name: | ethyl 4-(4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 588.66 |
| Molecular Formula: | C31 H29 F N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(Cc2ccc(cc2)N2CCCC2=O)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9653 |
| logD: | 3.9648 |
| logSw: | -3.991 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.967 |
| InChI Key: | FIKLYVGOKAUVSO-AREMUKBSSA-N |