ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8014-7884 |
| Compound Name: | ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 561.61 |
| Molecular Formula: | C29 H27 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1Cc1ccc2c(c1)OCO2)=S)c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.003 |
| logD: | 4.0026 |
| logSw: | -4.2689 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.81 |
| InChI Key: | CHDBGQWFOSPJOP-HSZRJFAPSA-N |