methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 4514-1185 |
| Compound Name: | methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 565.62 |
| Molecular Formula: | C29 H28 F N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1CCc1ccc(c(c1)OC)OC)=S)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6538 |
| logD: | 3.6535 |
| logSw: | -4.1225 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.81 |
| InChI Key: | CEUSVTGCWMTOQK-HSZRJFAPSA-N |