AC1NB39Z
ethyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: Oprea1_712182|SR-01000445545-1|F0817-0388|ethyl 2-(4-((3,4-dihydroquinolin-1(2H)-yl)sulfonyl)benzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C28H30N2O5S2 |
|---|---|
| Molecular Weight | 538.1596 g/mol |
| LogP | 5.5875 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.1596 |
| Monoisotopic Mass | 538.1596 |
| Heavy Atoms | 37 |
| Complexity | 1427.2493 |
Chemical Identifiers
| CAS Number | 397290-71-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54 |
Product Overview
AC1NB39Z (CAS 397290-71-0), with molecular formula C28H30N2O5S2 and molecular weight 538.1596 g/mol. IUPAC: ethyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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