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Home > Quinoline > 1390807-51-8
1390807-51-8 | N-(2-methanesulfonylethyl)-3-(thiophen-2-ylmethylidene)-1H,2H,3H-cyclopenta[b]quinoline-9-carboxamide
CAS No: 1390807-51-8 Catalog No: AG01BBX8 MDL No:
Product Description
Catalog Number:
AG01BBX8
Chemical Name:
N-(2-methanesulfonylethyl)-3-(thiophen-2-ylmethylidene)-1H,2H,3H-cyclopenta[b]quinoline-9-carboxamide
CAS Number:
1390807-51-8
Molecular Formula:
C21H20N2O3S2
Molecular Weight:
412.5251
IUPAC Name:
N-(2-methylsulfonylethyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
InChI:
InChI=1S/C21H20N2O3S2/c1-28(25,26)12-10-22-21(24)19-16-6-2-3-7-18(16)23-20-14(8-9-17(19)20)13-15-5-4-11-27-15/h2-7,11,13H,8-10,12H2,1H3,(H,22,24)
InChI Key:
XIDJSPOWPIYPAJ-UHFFFAOYSA-N
SMILES:
O=C(c1c2CCC(=Cc3cccs3)c2nc2c1cccc2)NCCS(=O)(=O)C
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.092g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.522g/mol
Monoisotopic Mass:
412.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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