methyl 4-(2-{3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 4158-0110 |
| Compound Name: | methyl 4-(2-{3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 564.58 |
| Molecular Formula: | C26 H27 F3 N4 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1CCN1CCOCC1)=S)c1cccc(c1)C(F)(F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7436 |
| logD: | 2.2933 |
| logSw: | -3.3504 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.44 |
| InChI Key: | BTJKOIJJZGXKJC-OAQYLSRUSA-N |