Home Amines 339062-56-5
339062-56-5,MFCD03828210
Catalog No.:AA00INI3

339062-56-5 | 2-amino-4-(3,4,5-trimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile

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  • Technical Information
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Technical Information
Catalog Number:
AA00INI3
Chemical Name:
2-amino-4-(3,4,5-trimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CAS Number:
339062-56-5
Molecular Formula:
C23H20N2O4
Molecular Weight:
388.4159
MDL Number:
MFCD03828210
SMILES:
N#CC1=C(N)Oc2c(C1c1cc(OC)c(c(c1)OC)OC)ccc1c2cccc1
Properties
Computed Properties
 
Complexity:
657  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.5  

Literature

Title: Discovery of 4-aryl-4H-chromenes as a new series of apoptosis inducers using a cell- and caspase-based high-throughput screening assay. 3. Structure-activity relationships of fused rings at the 7,8-positions.

Journal: Journal of medicinal chemistry 20070614

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Tags:339062-56-5 Molecular Formula|339062-56-5 MDL|339062-56-5 SMILES|339062-56-5 2-amino-4-(3,4,5-trimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile