ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C148-0724 |
| Compound Name: | ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 593.72 |
| Molecular Formula: | C30 H31 N3 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCc1c(C)ccs1)=S)c1ccc(cc1)C(=O)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5251 |
| logD: | 5.5248 |
| logSw: | -5.3314 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.901 |
| InChI Key: | OXLYVVJHPKBJTR-XMMPIXPASA-N |