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150694-46-5

150694-46-5 | 4H-Imidazo[4,5-c]pyridin-4-one, 2-butyl-3,5-dihydro-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-(2-thienylmethyl)-

CAS No: 150694-46-5 Catalog No: AG001MSW MDL No:

Product Description

Catalog Number:
AG001MSW
Chemical Name:
4H-Imidazo[4,5-c]pyridin-4-one, 2-butyl-3,5-dihydro-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-(2-thienylmethyl)-
CAS Number:
150694-46-5
Molecular Formula:
C29H27N7OS
Molecular Weight:
521.6360
IUPAC Name:
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridin-4-one
InChI:
InChI=1S/C29H27N7OS/c1-2-3-10-26-30-25-15-16-35(19-22-7-6-17-38-22)29(37)27(25)36(26)18-20-11-13-21(14-12-20)23-8-4-5-9-24(23)28-31-33-34-32-28/h4-9,11-17H,2-3,10,18-19H2,1H3,(H,31,32,33,34)
InChI Key:
URJBSQINSKCWSD-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(=O)n(cc2)Cc1cccs1

Properties

Complexity:
821  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.2g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
521.643g/mol
Monoisotopic Mass:
521.2g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

Literature

Title Journal
Nerve stimulation induced overflow of neuropeptide Y and modulation by angiotensin II in spontaneously hypertensive rats. American journal of physiology. Heart and circulatory physiology 20081101

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