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75318-64-8 | 2-BIPHENYL-4-YL-5,6-DIHYDRO[1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE
CAS No: 75318-64-8 Catalog No: AG005C7S MDL No:
Product Description
Catalog Number:
AG005C7S
Chemical Name:
2-BIPHENYL-4-YL-5,6-DIHYDRO[1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE
CAS Number:
75318-64-8
Molecular Formula:
C22H17N3
Molecular Weight:
323.3905
IUPAC Name:
2-(4-phenylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
InChI:
InChI=1S/C22H17N3/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-23-22-20-9-5-4-8-18(20)14-15-25(22)24-21/h1-13H,14-15H2
InChI Key:
KFMWWRZUMCGQON-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)c1nn2c(n1)c1ccccc1CC2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.399g/mol
Monoisotopic Mass:
323.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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