200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 882257-03-6
882257-03-6 | 4-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazino}-1H-indole
CAS No: 882257-03-6 Catalog No: AG01CASF MDL No:MFCD00830687
Product Description
Catalog Number:
AG01CASF
Chemical Name:
4-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazino}-1H-indole
CAS Number:
882257-03-6
Molecular Formula:
C20H23N3O4S
Molecular Weight:
401.4793
MDL Number:
MFCD00830687
IUPAC Name:
4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1H-indole
InChI:
InChI=1S/C20H23N3O4S/c1-26-19-7-6-15(14-20(19)27-2)28(24,25)23-12-10-22(11-13-23)18-5-3-4-17-16(18)8-9-21-17/h3-9,14,21H,10-13H2,1-2H3
InChI Key:
IRHIAAYCMBDFEE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)c1cccc2c1cc[nH]2
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.141g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.481g/mol
Monoisotopic Mass:
401.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.