(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-4,5-dihydro-2-benzothiepin-1(3H)-one

Base Information

• Chemical Name: (3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-4,5-dihydro-2-benzothiepin-1(3H)-one
• CAS No.: 937366-40-0
• Molecular Formula: C₂₇H₂₀ClNOS
• Molecular Weight: 441.981
• European Community (EC) Number: 618-968-3
• DSSTox Substance ID: DTXSID401119151
• Mol file: 937366-40-0.mol

Synonyms:SCHEMBL4195982;SCHEMBL4195983;JVNZGMSIENCBRN-PVBLUSGHSA-N;DTXSID401119151;(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-4,5-dihydro-2-benzothiepin-1(3H)-one;937366-40-0

Chemical Property of (3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-4,5-dihydro-2-benzothiepin-1(3H)-one

Chemical Property:

• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 441.0954131
• Heavy Atom Count: 31
• Complexity: 653

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C(=O)SC1C3=CC=CC(=C3)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4
• Isomeric SMILES: C1CC2=CC=CC=C2C(=O)S[C@H]1C3=CC=CC(=C3)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4