AC1LY99U
dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-(4-fluorophenethyl)thioureido)isophthalate|DIMETHYL 5-({[(4-FLUOROPHENETHYL)AMINO]CARBOTHIOYL}AMINO)ISOPHTHALATE|dimethyl 5-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)benzene-1,3-dicarboxylate|dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate|methyl 5-[({[2-(4-fluorophenyl)ethyl]amino}thioxomethyl)amino]-3-(methoxycarbo nyl)benzoate
| Molecular Formula | C19H19FN2O4S |
|---|---|
| Molecular Weight | 390.10495 g/mol |
| LogP | 2.928 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.10495 |
| Monoisotopic Mass | 390.10495 |
| Heavy Atoms | 27 |
| Complexity | 805.85333 |
Chemical Identifiers
| CAS Number | 708286-90-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)F)C(=O)OC |
Product Overview
AC1LY99U (CAS 708286-90-2), with molecular formula C19H19FN2O4S and molecular weight 390.10495 g/mol. IUPAC: dimethyl 5-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate.
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