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103693-30-7 | 1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-7,8-dimethoxy-
CAS No: 103693-30-7 Catalog No: AG0085GA MDL No:
Product Description
Catalog Number:
AG0085GA
Chemical Name:
1,4-Benzothiazepin-3(2H)-one, 4,5-dihydro-7,8-dimethoxy-
CAS Number:
103693-30-7
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
IUPAC Name:
7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepin-3-one
InChI:
InChI=1S/C11H13NO3S/c1-14-8-3-7-5-12-11(13)6-16-10(7)4-9(8)15-2/h3-4H,5-6H2,1-2H3,(H,12,13)
InChI Key:
FHKPLXNWFILGPJ-UHFFFAOYSA-N
SMILES:
COc1cc2SCC(=O)NCc2cc1OC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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