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Home > Indoles and Oxindole > 19783-63-2
19783-63-2 | 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-4,7-dimethyl-2-(2-thiazolyl)-
CAS No: 19783-63-2 Catalog No: AG002B3D MDL No:
Product Description
Catalog Number:
AG002B3D
Chemical Name:
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-4,7-dimethyl-2-(2-thiazolyl)-
CAS Number:
19783-63-2
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
IUPAC Name:
4,7-dimethyl-2-(1,3-thiazol-2-yl)-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C13H14N2O3S/c1-12-3-4-13(2,18-12)8-7(12)9(16)15(10(8)17)11-14-5-6-19-11/h5-8H,3-4H2,1-2H3
InChI Key:
WESNUVHBKHZVAG-UHFFFAOYSA-N
SMILES:
O=C1N(c2nccs2)C(=O)C2C1C1(C)CCC2(O1)C
NSC Number:
92850
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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