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823801-89-4 | 4H-1,4-Benzothiazine, 2-ethyl-4-methyl-3-phenyl-
CAS No: 823801-89-4 Catalog No: AG00539D MDL No:
Product Description
Catalog Number:
AG00539D
Chemical Name:
4H-1,4-Benzothiazine, 2-ethyl-4-methyl-3-phenyl-
CAS Number:
823801-89-4
Molecular Formula:
C17H17NS
Molecular Weight:
267.3886
IUPAC Name:
2-ethyl-4-methyl-3-phenyl-1,4-benzothiazine
InChI:
InChI=1S/C17H17NS/c1-3-15-17(13-9-5-4-6-10-13)18(2)14-11-7-8-12-16(14)19-15/h4-12H,3H2,1-2H3
InChI Key:
MZPRMUXISBHHLG-UHFFFAOYSA-N
SMILES:
CCC1=C(c2ccccc2)N(c2c(S1)cccc2)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.39g/mol
Monoisotopic Mass:
267.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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