AC1NNX8T
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Also Known As: Oprea1_851745|AK-968/41169462|N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide|N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(2-phenyl-4-quinolinyl)carbonyl]thiourea|N-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-N'-[(2-PHENYL-4-QUINOLYL)CARBONYL]THIOUREA
| Molecular Formula | C27H22N4OS2 |
|---|---|
| Molecular Weight | 482.1235 g/mol |
| LogP | 6.08658 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.1235 |
| Monoisotopic Mass | 482.1235 |
| Heavy Atoms | 34 |
| Complexity | 1453.0143 |
Chemical Identifiers
| CAS Number | 438211-63-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 |
Product Overview
AC1NNX8T (CAS 438211-63-3), with molecular formula C27H22N4OS2 and molecular weight 482.1235 g/mol. IUPAC: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide.
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