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132853-87-3 | 1H-[1,2,4]Triazolo[1,2-a]cinnoline-1,3(2H)-dione, 5-benzoyl-2-phenyl-
CAS No: 132853-87-3 Catalog No: AG00119U MDL No:
Product Description
Catalog Number:
AG00119U
Chemical Name:
1H-[1,2,4]Triazolo[1,2-a]cinnoline-1,3(2H)-dione, 5-benzoyl-2-phenyl-
CAS Number:
132853-87-3
Molecular Formula:
C23H15N3O3
Molecular Weight:
381.3835
IUPAC Name:
5-benzoyl-2-phenyl-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione
InChI:
InChI=1S/C23H15N3O3/c27-21(16-9-3-1-4-10-16)20-15-17-11-7-8-14-19(17)25-22(28)24(23(29)26(20)25)18-12-5-2-6-13-18/h1-15H
InChI Key:
IYZFYIRAJNTZNQ-UHFFFAOYSA-N
SMILES:
O=C(c1cc2ccccc2n2n1c(=O)n(c2=O)c1ccccc1)c1ccccc1
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.111g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.391g/mol
Monoisotopic Mass:
381.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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