ethyl 4-[3-(2-acetamidoethyl)-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(2-acetamidoethyl)-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
ethyl 4-[3-(2-acetamidoethyl)-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Compound characteristics
| Compound ID: | C148-0049 |
| Compound Name: | ethyl 4-[3-(2-acetamidoethyl)-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C27 H30 N4 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCNC(C)=O)=S)c1ccc(cc1)C(=O)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3145 |
| logD: | 2.3142 |
| logSw: | -2.787 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.58 |
| InChI Key: | CECJHIYQTHJACP-JOCHJYFZSA-N |