AC1NNI21
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-naphthalen-1-ylthiophene-3-carboxylate
Also Known As: Oprea1_580024|AK-968/41017309|methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-naphthalen-1-ylthiophene-3-carboxylate|methyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-4-(1-naphthyl)-3-thiophenecarboxylate|METHYL 2-[2-(3,4-DIMETHYLPHENOXY)ACETAMIDO]-4-(NAPHTHALEN-1-YL)THIOPHENE-3-CARBOXYLATE|methyl 2-(2-(3,4-dimethylphenoxy)acetamido)-4-(naphthalen-1-yl)thiophene-3-carboxylate|methyl 2-[2-(3,4-dimethylphenoxy)acetylamino]-4-naphthylthiophene-3-carboxylat e|methyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-4-(naphthalen-1-yl)thiophene-3-carboxylate
| Molecular Formula | C26H23NO4S |
|---|---|
| Molecular Weight | 445.13477 g/mol |
| LogP | 5.98924 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.13477 |
| Monoisotopic Mass | 445.13477 |
| Heavy Atoms | 32 |
| Complexity | 1303.1833 |
Chemical Identifiers
| CAS Number | 438211-35-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=CC4=CC=CC=C43)C(=O)OC)C |
Product Overview
AC1NNI21 (CAS 438211-35-9), with molecular formula C26H23NO4S and molecular weight 445.13477 g/mol. IUPAC: methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-naphthalen-1-ylthiophene-3-carboxylate.
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