AC1N1AL3
N-[4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
Also Known As: N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide|N-[4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide|N-{4-[(1-benzofuran-2-ylcarbonyl)amino]-3-methoxyphenyl}-N'-{[4-(butan-2-yloxy)phenyl]carbonyl}carbamimidothioic acid
CAS: 530136-75-5
| Molecular Formula | C28H27N3O5S |
|---|---|
| Molecular Weight | 517.1671 g/mol |
| LogP | 5.9978 |
| Topological Polar Surface Area | 101.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.1671 |
| Monoisotopic Mass | 517.1671 |
| Heavy Atoms | 37 |
| Complexity | 1398.5441 |
Chemical Identifiers
| CAS Number | 530136-75-5 |
|---|---|
| SMILES | CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC |
Product Overview
AC1N1AL3 (CAS 530136-75-5), with molecular formula C28H27N3O5S and molecular weight 517.1671 g/mol. IUPAC: N-[4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-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.
View MSDS →
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