ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8014-2824 |
| Compound Name: | ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate |
| Molecular Weight: | 588.66 |
| Molecular Formula: | C31 H29 F N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1Cc1ccc(cc1)N1CCCC1=O)=S)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9653 |
| logD: | 3.9649 |
| logSw: | -3.991 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.967 |
| InChI Key: | MVUSIKHNNLESKV-AREMUKBSSA-N |