AC1LQ6TL
dimethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate
Also Known As: SR-01000281480-1|dimethyl 5-(3-(benzo[d][1,3]dioxol-5-ylmethyl)thioureido)isophthalate|DIMETHYL 5-({[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]CARBOTHIOYL}AMINO)ISOPHTHALATE|dimethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate|dimethyl 5-{[(1,3-benzodioxol-5-ylmethyl)carbamothioyl]amino}benzene-1,3-dicarboxylate|methyl 5-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino]thioxomethyl}amino)- 3-(methoxycarbonyl)benzoate
| Molecular Formula | C19H18N2O6S |
|---|---|
| Molecular Weight | 402.08856 g/mol |
| LogP | 2.4751 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.08856 |
| Monoisotopic Mass | 402.08856 |
| Heavy Atoms | 28 |
| Complexity | 896.385 |
Chemical Identifiers
| CAS Number | 708992-58-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC |
Product Overview
AC1LQ6TL (CAS 708992-58-9), with molecular formula C19H18N2O6S and molecular weight 402.08856 g/mol. IUPAC: dimethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate.
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