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1015223-89-8 | Propanal, 3-[[7-(benzoyloxy)thieno[3,2-b]pyridin-5-yl]amino]-, hydrochloride (1:1)
CAS No: 1015223-89-8 Catalog No: AG0004PK MDL No:
Product Description
Catalog Number:
AG0004PK
Chemical Name:
Propanal, 3-[[7-(benzoyloxy)thieno[3,2-b]pyridin-5-yl]amino]-, hydrochloride (1:1)
CAS Number:
1015223-89-8
Molecular Formula:
C17H15ClN2O3S
Molecular Weight:
362.8306
IUPAC Name:
[5-(3-oxopropylamino)thieno[3,2-b]pyridin-7-yl] benzoate;hydrochloride
InChI:
InChI=1S/C17H14N2O3S.ClH/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);1H
InChI Key:
CISXWFKVDUNCRX-UHFFFAOYSA-N
SMILES:
O=CCCNc1cc(OC(=O)c2ccccc2)c2c(n1)ccs2.Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.828g/mol
Monoisotopic Mass:
362.049g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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