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139123-80-1 | 1,2,3-Benzotriazine-3(4H)-carboxamide, 4-oxo-N,N-diphenyl-
CAS No: 139123-80-1 Catalog No: AG001ACD MDL No:
Product Description
Catalog Number:
AG001ACD
Chemical Name:
1,2,3-Benzotriazine-3(4H)-carboxamide, 4-oxo-N,N-diphenyl-
CAS Number:
139123-80-1
Molecular Formula:
C20H14N4O2
Molecular Weight:
342.3508
IUPAC Name:
4-oxo-N,N-diphenyl-1,2,3-benzotriazine-3-carboxamide
InChI:
InChI=1S/C20H14N4O2/c25-19-17-13-7-8-14-18(17)21-22-24(19)20(26)23(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChI Key:
LYTLPVNAEMQGHF-UHFFFAOYSA-N
SMILES:
O=C(n1nnc2c(c1=O)cccc2)N(c1ccccc1)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.358g/mol
Monoisotopic Mass:
342.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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