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864224-30-6 | 5(6H)-Quinolinone, 7,8-dihydro-2-[(2-phenyl-5-thiazolyl)ethynyl]-
CAS No: 864224-30-6 Catalog No: AG004NLZ MDL No:
Product Description
Catalog Number:
AG004NLZ
Chemical Name:
5(6H)-Quinolinone, 7,8-dihydro-2-[(2-phenyl-5-thiazolyl)ethynyl]-
CAS Number:
864224-30-6
Molecular Formula:
C20H14N2OS
Molecular Weight:
330.4030
IUPAC Name:
2-[2-(2-phenyl-1,3-thiazol-5-yl)ethynyl]-7,8-dihydro-6H-quinolin-5-one
InChI:
InChI=1S/C20H14N2OS/c23-19-8-4-7-18-17(19)12-10-15(22-18)9-11-16-13-21-20(24-16)14-5-2-1-3-6-14/h1-3,5-6,10,12-13H,4,7-8H2
InChI Key:
XNVDHQYDSCNZML-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccc(n2)C#Cc1cnc(s1)c1ccccc1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.405g/mol
Monoisotopic Mass:
330.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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