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34931-00-5 | 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
CAS No: 34931-00-5 Catalog No: AG00JF63 MDL No:MFCD00703662
Product Description
Catalog Number:
AG00JF63
Chemical Name:
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
34931-00-5
Molecular Formula:
C14H13N3O2S2
Molecular Weight:
319.4019
MDL Number:
MFCD00703662
IUPAC Name:
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H13N3O2S2/c1-9-12(16-11(18)8-21-14(16)20)13(19)17(15(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key:
BLJJTOLCAHEXMY-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1c1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.045g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.397g/mol
Monoisotopic Mass:
319.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^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 |
| 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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