AC1O2UTN
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Also Known As: F1423-3806|SR-01000012631-1|(2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(1,1-dioxo-1lambda6-thiolan-3-yl)prop-2-enamide|(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)acrylamide|(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide|(2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(1,1-dioxo-1|(2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide|3-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-cyanoethenylcarbonylamino]-1-oxo-1lambda-tetrahydro-1H-thiophen-1-ium-1-olate
| Molecular Formula | C15H15BrN2O5S |
|---|---|
| Molecular Weight | 413.9885 g/mol |
| LogP | 1.37358 |
| Topological Polar Surface Area | 116.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.9885 |
| Monoisotopic Mass | 413.9885 |
| Heavy Atoms | 24 |
| Complexity | 842.15576 |
Chemical Identifiers
| CAS Number | 618065-29-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2CCS(=O)(=O)C2)Br)O |
Product Overview
AC1O2UTN (CAS 618065-29-5), with molecular formula C15H15BrN2O5S and molecular weight 413.9885 g/mol. IUPAC: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide.
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