ethyl 4-(4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate
ethyl 4-(4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8014-8539 |
| Compound Name: | ethyl 4-(4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylidene-3-{[4-(trifluoromethoxy)phenyl]methyl}imidazolidin-1-yl)benzoate |
| Molecular Weight: | 606.02 |
| Molecular Formula: | C28 H23 Cl F3 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)[Cl])=O)N(Cc2ccc(cc2)OC(F)(F)F)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9354 |
| logD: | 5.9349 |
| logSw: | -6.1638 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.088 |
| InChI Key: | IRHZAVGSKFOYPI-QHCPKHFHSA-N |