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91937-65-4 | 2H-1,3-Benzothiazine, 6,7-dimethoxy-4-(4-methylphenyl)-
CAS No: 91937-65-4 Catalog No: AG0066QT MDL No:
Product Description
Catalog Number:
AG0066QT
Chemical Name:
2H-1,3-Benzothiazine, 6,7-dimethoxy-4-(4-methylphenyl)-
CAS Number:
91937-65-4
Molecular Formula:
C17H17NO2S
Molecular Weight:
299.3874
IUPAC Name:
6,7-dimethoxy-4-(4-methylphenyl)-2H-1,3-benzothiazine
InChI:
InChI=1S/C17H17NO2S/c1-11-4-6-12(7-5-11)17-13-8-14(19-2)15(20-3)9-16(13)21-10-18-17/h4-9H,10H2,1-3H3
InChI Key:
KAIAROAXJZGZRA-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)SCN=C2c1ccc(cc1)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.388g/mol
Monoisotopic Mass:
299.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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