AC1LX3BJ
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
Also Known As: AK-968/41024637|N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide|N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-[3-(propan-2-yloxy)phenyl]quinoline-4-carboxamide|N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea|N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-N'-{[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}THIOUREA
| Molecular Formula | C30H28N4O2S2 |
|---|---|
| Molecular Weight | 540.16534 g/mol |
| LogP | 7.01788 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.16534 |
| Monoisotopic Mass | 540.16534 |
| Heavy Atoms | 38 |
| Complexity | 1568.513 |
Chemical Identifiers
| CAS Number | 445237-89-8 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCCCC5)C#N |
Product Overview
AC1LX3BJ (CAS 445237-89-8), with molecular formula C30H28N4O2S2 and molecular weight 540.16534 g/mol. IUPAC: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide.
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