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145353-39-5 | 6H-1,3-Thiazin-2-amine, 6-(4-methoxyphenyl)-4-phenyl-
CAS No: 145353-39-5 Catalog No: AG001KUP MDL No:
Product Description
Catalog Number:
AG001KUP
Chemical Name:
6H-1,3-Thiazin-2-amine, 6-(4-methoxyphenyl)-4-phenyl-
CAS Number:
145353-39-5
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
IUPAC Name:
6-(4-methoxyphenyl)-4-phenyl-6H-1,3-thiazin-2-amine
InChI:
InChI=1S/C17H16N2OS/c1-20-14-9-7-13(8-10-14)16-11-15(19-17(18)21-16)12-5-3-2-4-6-12/h2-11,16H,1H3,(H2,18,19)
InChI Key:
NIKCCCWJHJFFSZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1SC(=NC(=C1)c1ccccc1)N
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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