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Home > Indoles and Oxindole > 721416-33-7
721416-33-7 | 2-[4-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1H-isoindol-1-imine
CAS No: 721416-33-7 Catalog No: AG019KGW MDL No:MFCD03950713
Product Description
Catalog Number:
AG019KGW
Chemical Name:
2-[4-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1H-isoindol-1-imine
CAS Number:
721416-33-7
Molecular Formula:
C19H21N3O2S
Molecular Weight:
355.4539
MDL Number:
MFCD03950713
IUPAC Name:
2-(4-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-imine
InChI:
InChI=1S/C19H21N3O2S/c20-19-18-7-3-2-6-15(18)14-22(19)16-8-10-17(11-9-16)25(23,24)21-12-4-1-5-13-21/h2-3,6-11,20H,1,4-5,12-14H2
InChI Key:
VGYGBFLEIUIVID-UHFFFAOYSA-N
SMILES:
N=C1N(Cc2c1cccc2)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.135g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.456g/mol
Monoisotopic Mass:
355.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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