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774462-48-5 | Imidazo[5,1-f][1,2,4]triazine,5-methyl-2-(methylsulfonyl)-7-phenyl-
CAS No: 774462-48-5 Catalog No: AG0053FJ MDL No:
Product Description
Catalog Number:
AG0053FJ
Chemical Name:
Imidazo[5,1-f][1,2,4]triazine,5-methyl-2-(methylsulfonyl)-7-phenyl-
CAS Number:
774462-48-5
Molecular Formula:
C13H12N4O2S
Molecular Weight:
288.3250
IUPAC Name:
5-methyl-2-methylsulfonyl-7-phenylimidazo[5,1-f][1,2,4]triazine
InChI:
InChI=1S/C13H12N4O2S/c1-9-11-8-14-13(20(2,18)19)16-17(11)12(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
IMVPLRUUEANKQO-UHFFFAOYSA-N
SMILES:
Cc1nc(n2c1cnc(n2)S(=O)(=O)C)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.325g/mol
Monoisotopic Mass:
288.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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