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87833-85-0 | 1,5-Benzothiazepine-3,4(2H,5H)-dione, 5-methyl-2-phenyl-
CAS No: 87833-85-0 Catalog No: AG008CRJ MDL No:
Product Description
Catalog Number:
AG008CRJ
Chemical Name:
1,5-Benzothiazepine-3,4(2H,5H)-dione, 5-methyl-2-phenyl-
CAS Number:
87833-85-0
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
5-methyl-2-phenyl-1,5-benzothiazepine-3,4-dione
InChI:
InChI=1S/C16H13NO2S/c1-17-12-9-5-6-10-13(12)20-15(14(18)16(17)19)11-7-3-2-4-8-11/h2-10,15H,1H3
InChI Key:
GLVLPPWBQOVIJK-UHFFFAOYSA-N
SMILES:
O=C1N(C)c2ccccc2SC(C1=O)c1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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