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79246-66-5 | 4H-1,4-Benzothiazine, 3,4-diphenyl-
CAS No: 79246-66-5 Catalog No: AG0059XU MDL No:
Product Description
Catalog Number:
AG0059XU
Chemical Name:
4H-1,4-Benzothiazine, 3,4-diphenyl-
CAS Number:
79246-66-5
Molecular Formula:
C20H15NS
Molecular Weight:
301.4048
IUPAC Name:
3,4-diphenyl-1,4-benzothiazine
InChI:
InChI=1S/C20H15NS/c1-3-9-16(10-4-1)19-15-22-20-14-8-7-13-18(20)21(19)17-11-5-2-6-12-17/h1-15H
InChI Key:
MMOYVPLIHSAWBS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CSc2c(N1c1ccccc1)cccc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.407g/mol
Monoisotopic Mass:
301.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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