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Home > Pyridines > 937598-46-4
937598-46-4 | 5-(3,6-DIMETHYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4-METHYL-4H-1,2,+
CAS No: 937598-46-4 Catalog No: AG01AO71 MDL No:MFCD08553243
Product Description
Catalog Number:
AG01AO71
Chemical Name:
5-(3,6-DIMETHYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4-METHYL-4H-1,2,+
CAS Number:
937598-46-4
Molecular Formula:
C17H16N6S
Molecular Weight:
336.4141
MDL Number:
MFCD08553243
IUPAC Name:
3-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C17H16N6S/c1-10-9-13(15-19-20-17(24)22(15)3)14-11(2)21-23(16(14)18-10)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,20,24)
InChI Key:
BNXXFQWAZHBTMR-UHFFFAOYSA-N
SMILES:
Cc1cc(c2nnc(n2C)S)c2c(n1)n(nc2C)c1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.417g/mol
Monoisotopic Mass:
336.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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