ethyl 4-{4-(2-anilino-2-oxoethyl)-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-(2-anilino-2-oxoethyl)-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-(2-anilino-2-oxoethyl)-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
Compound ID: | 8016-4231 |
Compound Name: | ethyl 4-{4-(2-anilino-2-oxoethyl)-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate |
Molecular Weight: | 502.59 |
Molecular Formula: | C27 H26 N4 O4 S |
Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccccc2)=O)N(CCc2ccncc2)C1=S)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0701 |
logD: | 3.0252 |
logSw: | -3.2679 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.557 |
InChI Key: | KHTRMDKOQAYYBA-HSZRJFAPSA-N |