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Home > Indoles and Oxindole > 16131-62-7
16131-62-7 | 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 2-(6-ethoxy-2-benzothiazolyl)hexahydro-
CAS No: 16131-62-7 Catalog No: AG001SCQ MDL No:
Product Description
Catalog Number:
AG001SCQ
Chemical Name:
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 2-(6-ethoxy-2-benzothiazolyl)hexahydro-
CAS Number:
16131-62-7
Molecular Formula:
C17H16N2O4S
Molecular Weight:
344.3849
IUPAC Name:
2-(6-ethoxy-1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C17H16N2O4S/c1-2-22-8-3-4-9-12(7-8)24-17(18-9)19-15(20)13-10-5-6-11(23-10)14(13)16(19)21/h3-4,7,10-11,13-14H,2,5-6H2,1H3
InChI Key:
QUNMFLKWYQTRDU-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)N1C(=O)C2C(C1=O)C1OC2CC1
NSC Number:
80811
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.385g/mol
Monoisotopic Mass:
344.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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