AC1LJYJ7
methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AK-968/12513017|methyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate|methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate|methyl 2-((2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)prop-2-enoylamino)-4,5-dime thylthiophene-3-carboxylate|methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C18H17NO5S |
|---|---|
| Molecular Weight | 359.08273 g/mol |
| LogP | 3.53214 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.08273 |
| Monoisotopic Mass | 359.08273 |
| Heavy Atoms | 25 |
| Complexity | 868.5917 |
Chemical Identifiers
| CAS Number | 1164551-52-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C |
Product Overview
AC1LJYJ7 (CAS 1164551-52-3), with molecular formula C18H17NO5S and molecular weight 359.08273 g/mol. IUPAC: methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
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