AC1N9OLE
butan-2-yl 2-[(2-methylfuran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/40729735|butan-2-yl 2-[(2-methylfuran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|butan-2-yl 2-{[(2-methylfuran-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|sec-butyl 2-[(2-methyl-3-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|Butan-2-yl 2-[(2-methylfuran-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate|methylpropyl 2-[(2-methyl-3-furyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thi ophene-3-carboxylate
| Molecular Formula | C19H23NO4S |
|---|---|
| Molecular Weight | 361.13477 g/mol |
| LogP | 4.73592 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.13477 |
| Monoisotopic Mass | 361.13477 |
| Heavy Atoms | 25 |
| Complexity | 789.44446 |
Chemical Identifiers
| CAS Number | 445016-69-3 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(OC=C3)C |
Product Overview
AC1N9OLE (CAS 445016-69-3), with molecular formula C19H23NO4S and molecular weight 361.13477 g/mol. IUPAC: butan-2-yl 2-[(2-methylfuran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.