ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8014-7611 |
| Compound Name: | ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 549.58 |
| Molecular Formula: | C28 H24 F N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)F)=O)N(Cc2ccc3c(c2)OCO3)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0497 |
| logD: | 4.0492 |
| logSw: | -4.1838 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.266 |
| InChI Key: | PVVBEHGIZXSCAP-JOCHJYFZSA-N |