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Home > Pyridines > 439108-62-0
439108-62-0 | 4-(4-heptylphenyl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carbonitrile
CAS No: 439108-62-0 Catalog No: AG00IPDR MDL No:MFCD03012568
Product Description
Catalog Number:
AG00IPDR
Chemical Name:
4-(4-heptylphenyl)-2-methyl-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carbonitrile
CAS Number:
439108-62-0
Molecular Formula:
C27H28N2O
Molecular Weight:
396.5240
MDL Number:
MFCD03012568
IUPAC Name:
4-(4-heptylphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C27H28N2O/c1-3-4-5-6-7-10-19-13-15-20(16-14-19)24-23(17-28)18(2)29-26-21-11-8-9-12-22(21)27(30)25(24)26/h8-9,11-16,24,29H,3-7,10H2,1-2H3
InChI Key:
NTTVBOWTBMZTPK-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)c1c2cccc1)C#N
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.22g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.534g/mol
Monoisotopic Mass:
396.22g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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