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30589-43-6 | 4H-[1,2,4]Triazino[3,4-a]isoquinoline, 1,11b-dihydro-3-phenyl-
CAS No: 30589-43-6 Catalog No: AG0030ME MDL No:
Product Description
Catalog Number:
AG0030ME
Chemical Name:
4H-[1,2,4]Triazino[3,4-a]isoquinoline, 1,11b-dihydro-3-phenyl-
CAS Number:
30589-43-6
Molecular Formula:
C17H15N3
Molecular Weight:
261.3211
IUPAC Name:
3-phenyl-4,11b-dihydro-1H-[1,2,4]triazino[3,4-a]isoquinoline
InChI:
InChI=1S/C17H15N3/c1-2-7-14(8-3-1)16-12-20-11-10-13-6-4-5-9-15(13)17(20)19-18-16/h1-11,17,19H,12H2
InChI Key:
AXAVOSUPXFDBOY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NNC2N(C1)C=Cc1c2cccc1
NSC Number:
153622
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.328g/mol
Monoisotopic Mass:
261.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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