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109590-26-3 | 4H-1,3-Benzothiazine, 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-
CAS No: 109590-26-3 Catalog No: AG007SUQ MDL No:
Product Description
Catalog Number:
AG007SUQ
Chemical Name:
4H-1,3-Benzothiazine, 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-
CAS Number:
109590-26-3
Molecular Formula:
C17H15NO4S
Molecular Weight:
329.3703
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4H-1,3-benzothiazine
InChI:
InChI=1S/C17H15NO4S/c1-19-13-6-11-8-18-17(23-16(11)7-14(13)20-2)10-3-4-12-15(5-10)22-9-21-12/h3-7H,8-9H2,1-2H3
InChI Key:
OUAWXRUHNYVHHK-UHFFFAOYSA-N
SMILES:
COc1cc2CN=C(Sc2cc1OC)c1ccc2c(c1)OCO2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.37g/mol
Monoisotopic Mass:
329.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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