AC1NNU7E
ethyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate
Also Known As: Oprea1_694218|SR-01000445422-1|ethyl 5-nitro-2-[4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamido]thiophene-3-carboxylate|F0806-0151|ethyl 2-(4-((3,4-dihydroquinolin-1(2H)-yl)sulfonyl)benzamido)-5-nitrothiophene-3-carboxylate|ethyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate|Ethyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-5-nitro-thiophene-3-carboxylate
| Molecular Formula | C23H21N3O7S2 |
|---|---|
| Molecular Weight | 515.0821 g/mol |
| LogP | 4.2268 |
| Topological Polar Surface Area | 135.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.0821 |
| Monoisotopic Mass | 515.0821 |
| Heavy Atoms | 35 |
| Complexity | 1398.723 |
Chemical Identifiers
| CAS Number | 477491-26-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43 |
Product Overview
AC1NNU7E (CAS 477491-26-2), with molecular formula C23H21N3O7S2 and molecular weight 515.0821 g/mol. IUPAC: ethyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-5-nitrothiophene-3-carboxylate.
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