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104505-69-3 | 1,5-Benzothiazepine, 4-methoxy-2-phenyl-
CAS No: 104505-69-3 Catalog No: AG0085WB MDL No:
Product Description
Catalog Number:
AG0085WB
Chemical Name:
1,5-Benzothiazepine, 4-methoxy-2-phenyl-
CAS Number:
104505-69-3
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
4-methoxy-2-phenyl-1,5-benzothiazepine
InChI:
InChI=1S/C16H13NOS/c1-18-16-11-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-16/h2-11H,1H3
InChI Key:
VXOLHHXMOSVWDZ-UHFFFAOYSA-N
SMILES:
COC1=Nc2ccccc2SC(=C1)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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