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105431-72-9

105431-72-9 | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one

CAS No: 105431-72-9 Catalog No: AG007ENV MDL No:MFCD00867216

Product Description

Catalog Number:
AG007ENV
Chemical Name:
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
CAS Number:
105431-72-9
Molecular Formula:
C26H21N3O
Molecular Weight:
391.4644
MDL Number:
MFCD00867216
IUPAC Name:
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
InChI:
InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
InChI Key:
YEJCDKJIEMIWRQ-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2
UNII:
I5TB3NZ94T

Properties

Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.168g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.474g/mol
Monoisotopic Mass:
391.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Literature

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Modulation of ERG channels by XE991. Basic & clinical pharmacology & toxicology 20070501
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