AC1NQEJ8
2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-[({3-Bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS: 6516-93-4
| Molecular Formula | C26H23BrN2O3S |
|---|---|
| Molecular Weight | 522.0613 g/mol |
| LogP | 6.4129 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.0613 |
| Monoisotopic Mass | 522.0613 |
| Heavy Atoms | 33 |
| Complexity | 1228.5693 |
Chemical Identifiers
| CAS Number | 6516-93-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)Br)OCC#C |
Product Overview
AC1NQEJ8 (CAS 6516-93-4), with molecular formula C26H23BrN2O3S and molecular weight 522.0613 g/mol. IUPAC: 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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