AC1NRQCW
methyl 6-amino-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: A3802/0161379|methyl 4-(4-((1H-benzo[d]imidazol-1-yl)methyl)thiophen-2-yl)-6-amino-5-cyano-2-methyl-4H-pyran-3-carboxylate|methyl 6-amino-4-[4-(1H-1,3-benzimidazol-1-ylmethyl)-2-thienyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate|methyl 6-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate|methyl 6-amino-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.10995 g/mol |
| LogP | 3.40078 |
| Topological Polar Surface Area | 103.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.10995 |
| Monoisotopic Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 1211.967 |
Chemical Identifiers
| CAS Number | 727686-48-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CS2)CN3C=NC4=CC=CC=C43)C(=O)OC |
Product Overview
AC1NRQCW (CAS 727686-48-8), with molecular formula C21H18N4O3S and molecular weight 406.10995 g/mol. IUPAC: methyl 6-amino-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate.
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