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Home > Indoles and Oxindole > 910546-85-9
910546-85-9 | 1H-Indole-3-acetamide, 5-(3-methylphenyl)-1-(2-naphthalenylmethyl)-
CAS No: 910546-85-9 Catalog No: AG006RG9 MDL No:
Product Description
Catalog Number:
AG006RG9
Chemical Name:
1H-Indole-3-acetamide, 5-(3-methylphenyl)-1-(2-naphthalenylmethyl)-
CAS Number:
910546-85-9
Molecular Formula:
C28H24N2O
Molecular Weight:
404.5030
IUPAC Name:
2-[5-(3-methylphenyl)-1-(naphthalen-2-ylmethyl)indol-3-yl]acetamide
InChI:
InChI=1S/C28H24N2O/c1-19-5-4-8-22(13-19)24-11-12-27-26(15-24)25(16-28(29)31)18-30(27)17-20-9-10-21-6-2-3-7-23(21)14-20/h2-15,18H,16-17H2,1H3,(H2,29,31)
InChI Key:
VEFRJIAKULGZRP-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1cn(c2c1cc(cc2)c1cccc(c1)C)Cc1ccc2c(c1)cccc2
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.189g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.513g/mol
Monoisotopic Mass:
404.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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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