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6941-73-7 | Triindole
CAS No: 6941-73-7 Catalog No: AG005ZQX MDL No:MFCD00187820
Product Description
Catalog Number:
AG005ZQX
Chemical Name:
Triindole
CAS Number:
6941-73-7
Molecular Formula:
C24H21N3
Molecular Weight:
351.4436
MDL Number:
MFCD00187820
IUPAC Name:
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
InChI:
InChI=1S/C24H21N3/c25-22-10-4-1-7-16(22)13-19(20-14-26-23-11-5-2-8-17(20)23)21-15-27-24-12-6-3-9-18(21)24/h1-12,14-15,19,26-27H,13,25H2
InChI Key:
GDGIXKWOJJMLNP-UHFFFAOYSA-N
SMILES:
Nc1ccccc1CC(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
NSC Number:
38313
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.174g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
351.453g/mol
Monoisotopic Mass:
351.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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