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Home > Indoles and Oxindole > 304854-99-7
304854-99-7 | Acetamide, N-[2-(5-methoxy-4-nitro-1H-indol-3-yl)ethyl]-
CAS No: 304854-99-7 Catalog No: AG0030AW MDL No:
Product Description
Catalog Number:
AG0030AW
Chemical Name:
Acetamide, N-[2-(5-methoxy-4-nitro-1H-indol-3-yl)ethyl]-
CAS Number:
304854-99-7
Molecular Formula:
C13H15N3O4
Molecular Weight:
277.2759
IUPAC Name:
N-[2-(5-methoxy-4-nitro-1H-indol-3-yl)ethyl]acetamide
InChI:
InChI=1S/C13H15N3O4/c1-8(17)14-6-5-9-7-15-10-3-4-11(20-2)13(12(9)10)16(18)19/h3-4,7,15H,5-6H2,1-2H3,(H,14,17)
InChI Key:
LHPBCJINZHPYNA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])c(CCNC(=O)C)c[nH]2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.28g/mol
Monoisotopic Mass:
277.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| A novel quantitative structure-activity relationship method to predict the affinities of MT3 melatonin binding site. | European journal of medicinal chemistry 20081201 |
| Synthesis of nitroindole derivatives with high affinity and selectivity for melatoninergic binding sites MT(3). | Journal of medicinal chemistry 20020425 |
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