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332384-83-5 | N-Biphenyl-2-yl-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS No: 332384-83-5 Catalog No: AG01F50I MDL No:
Product Description
Catalog Number:
AG01F50I
Chemical Name:
N-Biphenyl-2-yl-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS Number:
332384-83-5
Molecular Formula:
C23H17N5OS
Molecular Weight:
411.4790
IUPAC Name:
N-(2-phenylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C23H17N5OS/c29-20(24-18-12-6-4-10-16(18)15-8-2-1-3-9-15)14-30-23-26-22-21(27-28-23)17-11-5-7-13-19(17)25-22/h1-13H,14H2,(H,24,29)(H,25,26,28)
InChI Key:
YKOKANVIDLGUIY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1c1ccccc1)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.115g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.483g/mol
Monoisotopic Mass:
411.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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