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85834-39-5 | 2,5-Pyrrolidinedione, 1-(2H-1,4-benzothiazin-3-ylmethyl)-
CAS No: 85834-39-5 Catalog No: AG004RBC MDL No:
Product Description
Catalog Number:
AG004RBC
Chemical Name:
2,5-Pyrrolidinedione, 1-(2H-1,4-benzothiazin-3-ylmethyl)-
CAS Number:
85834-39-5
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
IUPAC Name:
1-(2H-1,4-benzothiazin-3-ylmethyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C13H12N2O2S/c16-12-5-6-13(17)15(12)7-9-8-18-11-4-2-1-3-10(11)14-9/h1-4H,5-8H2
InChI Key:
VGFZXUZBGSQTPP-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CC1=Nc2c(SC1)cccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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