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896631-32-6 | N-[2-(4-Benzylpiperidin-1-yl)ethyl]-5-methyl-4-oxo-3aH,4H,5H,9bH-thieno[3,2-c]quinoline-2-carboxamide
CAS No: 896631-32-6 Catalog No: AG01EEX0 MDL No:
Product Description
Catalog Number:
AG01EEX0
Chemical Name:
N-[2-(4-Benzylpiperidin-1-yl)ethyl]-5-methyl-4-oxo-3aH,4H,5H,9bH-thieno[3,2-c]quinoline-2-carboxamide
CAS Number:
896631-32-6
IUPAC Name:
N-[2-(4-benzylpiperidin-1-yl)ethyl]-5-methyl-4-oxo-3a,9b-dihydrothieno[3,2-c]quinoline-2-carboxamide
InChI:
InChI=1S/C27H31N3O2S/c1-29-23-10-6-5-9-21(23)25-22(27(29)32)18-24(33-25)26(31)28-13-16-30-14-11-20(12-15-30)17-19-7-3-2-4-8-19/h2-10,18,20,22,25H,11-17H2,1H3,(H,28,31)
InChI Key:
ZMZCTIPQOIUGBY-UHFFFAOYSA-N
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.214g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
461.624g/mol
Monoisotopic Mass:
461.214g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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