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603970-40-7 | Piperazine, 1-(3-cyano-7-methoxy-2-quinolinyl)-4-(2-thienylcarbonyl)- (9CI)
CAS No: 603970-40-7 Catalog No: AG00F83F MDL No:
Product Description
Catalog Number:
AG00F83F
Chemical Name:
Piperazine, 1-(3-cyano-7-methoxy-2-quinolinyl)-4-(2-thienylcarbonyl)- (9CI)
CAS Number:
603970-40-7
IUPAC Name:
7-methoxy-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
InChI:
InChI=1S/C20H18N4O2S/c1-26-16-5-4-14-11-15(13-21)19(22-17(14)12-16)23-6-8-24(9-7-23)20(25)18-3-2-10-27-18/h2-5,10-12H,6-9H2,1H3
InChI Key:
OKRVMUKMYBAWGE-UHFFFAOYSA-N
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.115g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.45g/mol
Monoisotopic Mass:
378.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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