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Home > Quinoline > 478081-70-8
478081-70-8 | 2-[4-(benzenesulfonyl)piperazin-1-yl]-4,8-dimethylquinoline
CAS No: 478081-70-8 Catalog No: AG00IYZ9 MDL No:MFCD02186387
Product Description
Catalog Number:
AG00IYZ9
Chemical Name:
2-[4-(benzenesulfonyl)piperazin-1-yl]-4,8-dimethylquinoline
CAS Number:
478081-70-8
Molecular Formula:
C21H23N3O2S
Molecular Weight:
381.4912
MDL Number:
MFCD02186387
IUPAC Name:
2-[4-(benzenesulfonyl)piperazin-1-yl]-4,8-dimethylquinoline
InChI:
InChI=1S/C21H23N3O2S/c1-16-7-6-10-19-17(2)15-20(22-21(16)19)23-11-13-24(14-12-23)27(25,26)18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3
InChI Key:
YGUJDKVEQDAINB-UHFFFAOYSA-N
SMILES:
Cc1cc(nc2c1cccc2C)N1CCN(CC1)S(=O)(=O)c1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.494g/mol
Monoisotopic Mass:
381.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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