methyl 4-(2-{3-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8012-6809 |
| Compound Name: | methyl 4-(2-{3-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 643.68 |
| Molecular Formula: | C32 H32 F3 N3 O6 S |
| Smiles: | CCOc1ccc(CCN2C(CC(Nc3ccc(cc3)C(=O)OC)=O)C(N(C2=S)c2cccc(c2)C(F)(F)F)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9726 |
| logD: | 4.9723 |
| logSw: | -4.6733 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.97 |
| InChI Key: | HEOOGKJVCKZJRC-RUZDIDTESA-N |