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94835-57-1 | 5H-1,2,4-Triazolo[3,4-b][1,3]thiazine, 6,7-dihydro-3,7-diphenyl-
CAS No: 94835-57-1 Catalog No: AG005UE2 MDL No:
Product Description
Catalog Number:
AG005UE2
Chemical Name:
5H-1,2,4-Triazolo[3,4-b][1,3]thiazine, 6,7-dihydro-3,7-diphenyl-
CAS Number:
94835-57-1
Molecular Formula:
C17H15N3S
Molecular Weight:
293.3861
IUPAC Name:
3,7-diphenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine
InChI:
InChI=1S/C17H15N3S/c1-3-7-13(8-4-1)15-11-12-20-16(18-19-17(20)21-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChI Key:
SSAXLBDQHUDLLK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1CCn2c(S1)nnc2c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.388g/mol
Monoisotopic Mass:
293.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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