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QL47

CAS No.:
1469988-75-7
Catalog Number:
AG00ABLG
Molecular Formula:
C27H21N5O2
Molecular Weight:
447.4879
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$290
- +
10mg
98%
1 week
United States
$423
- +
50mg
98%
1 week
United States
$1523
- +
Product Description
Catalog Number:
AG00ABLG
Chemical Name:
QL47
CAS Number:
1469988-75-7
Molecular Formula:
C27H21N5O2
Molecular Weight:
447.4879
MDL Number:
MFCD22124682
IUPAC Name:
9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
InChI:
InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
InChI Key:
RTRNJQOBEOISFQ-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCc2c1cc(cc2)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnn(c1)C
Properties
Complexity:
860  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.17g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.498g/mol
Monoisotopic Mass:
447.17g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties