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101133-68-0 | 2,5-Pyrrolidinedione, 1-[3-(2-benzothiazolylmethoxy)phenyl]-
CAS No: 101133-68-0 Catalog No: AG0003TQ MDL No:
Product Description
Catalog Number:
AG0003TQ
Chemical Name:
2,5-Pyrrolidinedione, 1-[3-(2-benzothiazolylmethoxy)phenyl]-
CAS Number:
101133-68-0
Molecular Formula:
C18H14N2O3S
Molecular Weight:
338.3804
IUPAC Name:
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C18H14N2O3S/c21-17-8-9-18(22)20(17)12-4-3-5-13(10-12)23-11-16-19-14-6-1-2-7-15(14)24-16/h1-7,10H,8-9,11H2
InChI Key:
XIGJVCFAJHGXOL-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1cccc(c1)OCc1nc2c(s1)cccc2
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.381g/mol
Monoisotopic Mass:
338.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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