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Home > Indoles and Oxindole > 910546-76-8
910546-76-8 | 1H-Indole-3-acetamide, 5-(3-methylphenyl)-1-(phenylmethyl)-
CAS No: 910546-76-8 Catalog No: AG006RGA MDL No:
Product Description
Catalog Number:
AG006RGA
Chemical Name:
1H-Indole-3-acetamide, 5-(3-methylphenyl)-1-(phenylmethyl)-
CAS Number:
910546-76-8
Molecular Formula:
C24H22N2O
Molecular Weight:
354.4443
IUPAC Name:
2-[1-benzyl-5-(3-methylphenyl)indol-3-yl]acetamide
InChI:
InChI=1S/C24H22N2O/c1-17-6-5-9-19(12-17)20-10-11-23-22(13-20)21(14-24(25)27)16-26(23)15-18-7-3-2-4-8-18/h2-13,16H,14-15H2,1H3,(H2,25,27)
InChI Key:
ACDZNAKMZQTDJF-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1cn(c2c1cc(cc2)c1cccc(c1)C)Cc1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.453g/mol
Monoisotopic Mass:
354.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship (QSAR) of indoloacetamides as inhibitors of human isoprenylcysteine carboxyl methyltransferase. | Bioorganic & medicinal chemistry letters 20070215 |
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