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823801-91-8 | 4H-1,4-Benzothiazine, 2-ethyl-3,4-diphenyl-
CAS No: 823801-91-8 Catalog No: AG008KBA MDL No:
Product Description
Catalog Number:
AG008KBA
Chemical Name:
4H-1,4-Benzothiazine, 2-ethyl-3,4-diphenyl-
CAS Number:
823801-91-8
Molecular Formula:
C22H19NS
Molecular Weight:
329.4580
IUPAC Name:
2-ethyl-3,4-diphenyl-1,4-benzothiazine
InChI:
InChI=1S/C22H19NS/c1-2-20-22(17-11-5-3-6-12-17)23(18-13-7-4-8-14-18)19-15-9-10-16-21(19)24-20/h3-16H,2H2,1H3
InChI Key:
XWFQPDHAZPCPPM-UHFFFAOYSA-N
SMILES:
CCC1=C(c2ccccc2)N(c2c(S1)cccc2)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.461g/mol
Monoisotopic Mass:
329.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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