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Home > Indoles and Oxindole > 6859-25-2
6859-25-2 | Indole, 1,3-bis(3,4-xylylacetyl)- (7CI,8CI)
CAS No: 6859-25-2 Catalog No: AG005P96 MDL No:
Product Description
Catalog Number:
AG005P96
Chemical Name:
Indole, 1,3-bis(3,4-xylylacetyl)- (7CI,8CI)
CAS Number:
6859-25-2
Molecular Formula:
C28H27NO2
Molecular Weight:
409.5195
IUPAC Name:
2-(3,4-dimethylphenyl)-1-[1-[2-(3,4-dimethylphenyl)acetyl]indol-3-yl]ethanone
InChI:
InChI=1S/C28H27NO2/c1-18-9-11-22(13-20(18)3)15-27(30)25-17-29(26-8-6-5-7-24(25)26)28(31)16-23-12-10-19(2)21(4)14-23/h5-14,17H,15-16H2,1-4H3
InChI Key:
DANBXGPFZDXPDQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)CC(=O)c1cn(c2c1cccc2)C(=O)Cc1ccc(c(c1)C)C
NSC Number:
105364
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.204g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.529g/mol
Monoisotopic Mass:
409.204g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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