AC1LX381
ethyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41024596|ethyl 2-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(3-(2-phenylquinoline-4-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ETHYL 2-[({[(2-PHENYL-4-QUINOLYL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C28H25N3O3S2 |
|---|---|
| Molecular Weight | 515.1337 g/mol |
| LogP | 6.1456 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.1337 |
| Monoisotopic Mass | 515.1337 |
| Heavy Atoms | 36 |
| Complexity | 1463.9338 |
Chemical Identifiers
| CAS Number | 445237-59-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 |
Product Overview
AC1LX381 (CAS 445237-59-2), with molecular formula C28H25N3O3S2 and molecular weight 515.1337 g/mol. IUPAC: ethyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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