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Home > Indoles and Oxindole > 16131-65-0
16131-65-0 | 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-2-naphtho[1,2-d]thiazol-2-yl-
CAS No: 16131-65-0 Catalog No: AG001SCO MDL No:
Product Description
Catalog Number:
AG001SCO
Chemical Name:
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-2-naphtho[1,2-d]thiazol-2-yl-
CAS Number:
16131-65-0
Molecular Formula:
C19H14N2O3S
Molecular Weight:
350.3911
IUPAC Name:
2-benzo[e][1,3]benzothiazol-2-yl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
InChI:
InChI=1S/C19H14N2O3S/c22-17-14-11-6-7-12(24-11)15(14)18(23)21(17)19-20-16-10-4-2-1-3-9(10)5-8-13(16)25-19/h1-5,8,11-12,14-15H,6-7H2
InChI Key:
ZOFAALOEKZEKBF-UHFFFAOYSA-N
SMILES:
O=C1N(c2sc3c(n2)c2ccccc2cc3)C(=O)C2C1C1CCC2O1
NSC Number:
80812
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.073g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.392g/mol
Monoisotopic Mass:
350.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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