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326595-52-2 | Quinoline, 2-phenyl-4-(7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-
CAS No: 326595-52-2 Catalog No: AG007F0L MDL No:
Product Description
Catalog Number:
AG007F0L
Chemical Name:
Quinoline, 2-phenyl-4-(7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-
CAS Number:
326595-52-2
Molecular Formula:
C19H13N5S
Molecular Weight:
343.4050
IUPAC Name:
3-(2-phenylquinolin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
InChI:
InChI=1S/C19H13N5S/c1-2-6-13(7-3-1)17-12-15(14-8-4-5-9-16(14)21-17)18-22-23-19-24(18)20-10-11-25-19/h1-10,12H,11H2
InChI Key:
HPDOQPNPRPAHCB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc2ccccc2c(c1)c1nnc2n1N=CCS2
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.408g/mol
Monoisotopic Mass:
343.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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