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134337-04-5

134337-04-5 | oxazolo[4,5-b]pyridin-2(3h)-one, 3-[2-[4-(4-phenoxyphenyl)-1-piperazinyl]ethyl]-

CAS No: 134337-04-5 Catalog No: AG007MC8 MDL No:

Product Description

Catalog Number:
AG007MC8
Chemical Name:
oxazolo[4,5-b]pyridin-2(3h)-one, 3-[2-[4-(4-phenoxyphenyl)-1-piperazinyl]ethyl]-
CAS Number:
134337-04-5
Molecular Formula:
C24H24N4O3
Molecular Weight:
416.4724
IUPAC Name:
3-[2-[4-(4-phenoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
InChI:
InChI=1S/C24H24N4O3/c29-24-28(23-22(31-24)7-4-12-25-23)18-15-26-13-16-27(17-14-26)19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-12H,13-18H2
InChI Key:
VCEPZHQCTXYJBF-UHFFFAOYSA-N
SMILES:
O=c1oc2c(n1CCN1CCN(CC1)c1ccc(cc1)Oc1ccccc1)nccc2
NSC Number:
670554

Properties

Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.185g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.481g/mol
Monoisotopic Mass:
416.185g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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