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173417-63-5 | 4H-1,3-Thiazine, 5-bromo-5,6-dihydro-2,4-diphenyl-, trans- (9CI)
CAS No: 173417-63-5 Catalog No: AG001YVT MDL No:
Product Description
Catalog Number:
AG001YVT
Chemical Name:
4H-1,3-Thiazine, 5-bromo-5,6-dihydro-2,4-diphenyl-, trans- (9CI)
CAS Number:
173417-63-5
Molecular Formula:
C16H14BrNS
Molecular Weight:
332.2581
IUPAC Name:
(4S,5S)-5-bromo-2,4-diphenyl-5,6-dihydro-4H-1,3-thiazine
InChI:
InChI=1S/C16H14BrNS/c17-14-11-19-16(13-9-5-2-6-10-13)18-15(14)12-7-3-1-4-8-12/h1-10,14-15H,11H2/t14-,15+/m1/s1
InChI Key:
WXRIBOAYRYGYKZ-CABCVRRESA-N
SMILES:
Br[C@@H]1CSC(=N[C@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
331.003g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.259g/mol
Monoisotopic Mass:
331.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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