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830319-63-6 | 5H-2,5-Methano-1,2-benzothiazepine, 7,8-dimethoxy-, 1,1-dioxide
CAS No: 830319-63-6 Catalog No: AG005DJD MDL No:
Product Description
Catalog Number:
AG005DJD
Chemical Name:
5H-2,5-Methano-1,2-benzothiazepine, 7,8-dimethoxy-, 1,1-dioxide
CAS Number:
830319-63-6
Molecular Formula:
C12H13NO4S
Molecular Weight:
267.3009
IUPAC Name:
4,5-dimethoxy-8λ6-thia-9-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene 8,8-dioxide
InChI:
InChI=1S/C12H13NO4S/c1-16-10-5-9-8-3-4-13(7-8)18(14,15)12(9)6-11(10)17-2/h3-6,8H,7H2,1-2H3
InChI Key:
VWUNPTZVFRXURK-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)C1C=CN(S2(=O)=O)C1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.299g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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