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134575-05-6 | Ethyl 5-Benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
CAS No: 134575-05-6 Catalog No: AG01FLKB MDL No:
Product Description
Catalog Number:
AG01FLKB
Chemical Name:
Ethyl 5-Benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
CAS Number:
134575-05-6
IUPAC Name:
ethyl 5-benzyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
InChI:
InChI=1S/C15H15N3O4/c1-2-22-15(21)12-10-11(16-17-12)14(20)18(13(10)19)8-9-6-4-3-5-7-9/h3-7,10-11,16H,2,8H2,1H3
InChI Key:
PXMBNSUKLTVWHM-UHFFFAOYSA-N
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.302g/mol
Monoisotopic Mass:
301.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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