5-Methyl-3-pyridinyl[4-[(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]-1-piperidinyl] ketone

Base Information

• Chemical Name: 5-Methyl-3-pyridinyl[4-[(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]-1-piperidinyl] ketone
• CAS No.: 156523-04-5
• Molecular Formula: C26H24ClN3O
• Molecular Weight: 429.9
• European Community (EC) Number: 943-309-4
• DSSTox Substance ID: DTXSID601104732
• Nikkaji Number: J602.058E
• ChEMBL ID: CHEMBL329826
• Mol file: 156523-04-5.mol

Synonyms:CHEMBL329826;SCHEMBL16385870;DTXSID601104732;156523-04-5;[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](5-methyl-3-pyridinyl)methanone;5-Methyl-3-pyridinyl[4-[(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]-1-piperidinyl] ketone

Chemical Property of 5-Methyl-3-pyridinyl[4-[(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]-1-piperidinyl] ketone

Chemical Property:

• PKA: 4.45±0.20(Predicted)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 429.1607901
• Heavy Atom Count: 31
• Complexity: 684

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CN=C1)C(=O)N2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2