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1015308-63-0

1015308-63-0 | Propanal, 3-[[7-(benzoyloxy)thieno[3,2-b]pyridin-5-yl]amino]-

CAS No: 1015308-63-0 Catalog No: AG0004Q1 MDL No:

Product Description

Catalog Number:
AG0004Q1
Chemical Name:
Propanal, 3-[[7-(benzoyloxy)thieno[3,2-b]pyridin-5-yl]amino]-
CAS Number:
1015308-63-0
Molecular Formula:
C17H14N2O3S
Molecular Weight:
326.3697
IUPAC Name:
[5-(3-oxopropylamino)thieno[3,2-b]pyridin-7-yl] benzoate
InChI:
InChI=1S/C17H14N2O3S/c20-9-4-8-18-15-11-14(16-13(19-15)7-10-23-16)22-17(21)12-5-2-1-3-6-12/h1-3,5-7,9-11H,4,8H2,(H,18,19)
InChI Key:
ZIUAATAIFJMUAV-UHFFFAOYSA-N
SMILES:
O=CCCNc1cc(OC(=O)c2ccccc2)c2c(n1)ccs2

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.073g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.37g/mol
Monoisotopic Mass:
326.073g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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