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851215-92-4 | 4-(4-tert-butylphenylsulfonyl)piperazin-2-one
CAS No: 851215-92-4 Catalog No: AG004XC4 MDL No:MFCD06376491
Product Description
Catalog Number:
AG004XC4
Chemical Name:
4-(4-tert-butylphenylsulfonyl)piperazin-2-one
CAS Number:
851215-92-4
Molecular Formula:
C14H20N2O3S
Molecular Weight:
296.3852
MDL Number:
MFCD06376491
IUPAC Name:
4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
InChI:
InChI=1S/C14H20N2O3S/c1-14(2,3)11-4-6-12(7-5-11)20(18,19)16-9-8-15-13(17)10-16/h4-7H,8-10H2,1-3H3,(H,15,17)
InChI Key:
YLIXTVOJMQXINK-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.385g/mol
Monoisotopic Mass:
296.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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