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93415-07-7

93415-07-7 | 4H-1,3-Benzothiazine, 2-(2,6-dimethylphenyl)-6,7-dimethoxy-

CAS No: 93415-07-7 Catalog No: AG0063KV MDL No:

Product Description

Catalog Number:
AG0063KV
Chemical Name:
4H-1,3-Benzothiazine, 2-(2,6-dimethylphenyl)-6,7-dimethoxy-
CAS Number:
93415-07-7
Molecular Formula:
C18H19NO2S
Molecular Weight:
313.4140
IUPAC Name:
2-(2,6-dimethylphenyl)-6,7-dimethoxy-4H-1,3-benzothiazine
InChI:
InChI=1S/C18H19NO2S/c1-11-6-5-7-12(2)17(11)18-19-10-13-8-14(20-3)15(21-4)9-16(13)22-18/h5-9H,10H2,1-4H3
InChI Key:
SGZLHTWRMZZLDH-UHFFFAOYSA-N
SMILES:
COc1cc2SC(=NCc2cc1OC)c1c(C)cccc1C

Properties

Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.114g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.415g/mol
Monoisotopic Mass:
313.114g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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