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97805-07-7 | 4'-((1-IMIDAZOLYLCARBONYL)METHYL)-2-(1-IMIDAZOLYL)-2',3',5',6'-TETRAMETHYLACETOPHENONE
CAS No: 97805-07-7 Catalog No: AG006AWY MDL No:
Product Description
Catalog Number:
AG006AWY
Chemical Name:
4'-((1-IMIDAZOLYLCARBONYL)METHYL)-2-(1-IMIDAZOLYL)-2',3',5',6'-TETRAMETHYLACETOPHENONE
CAS Number:
97805-07-7
Molecular Formula:
C20H22N4O2
Molecular Weight:
350.4143
IUPAC Name:
1-imidazol-1-yl-2-[4-(2-imidazol-1-ylacetyl)-2,3,5,6-tetramethylphenyl]ethanone
InChI:
InChI=1S/C20H22N4O2/c1-13-15(3)20(18(25)10-23-7-5-21-11-23)16(4)14(2)17(13)9-19(26)24-8-6-22-12-24/h5-8,11-12H,9-10H2,1-4H3
InChI Key:
DXXGVUQJLGGWMJ-UHFFFAOYSA-N
SMILES:
Cc1c(C)c(C(=O)Cn2cncc2)c(c(c1CC(=O)n1cncc1)C)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.422g/mol
Monoisotopic Mass:
350.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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