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116481-90-4 | Thieno[2,3-b]quinolin-5(6H)-one, 4-amino-7,8-dihydro-
CAS No: 116481-90-4 Catalog No: AG000CKZ MDL No:
Product Description
Catalog Number:
AG000CKZ
Chemical Name:
Thieno[2,3-b]quinolin-5(6H)-one, 4-amino-7,8-dihydro-
CAS Number:
116481-90-4
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
IUPAC Name:
4-amino-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
InChI:
InChI=1S/C11H10N2OS/c12-10-6-4-5-15-11(6)13-7-2-1-3-8(14)9(7)10/h4-5H,1-3H2,(H2,12,13)
InChI Key:
CNIHHVARSUXSMH-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(N)c1c(n2)scc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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