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Home > Pyridines > 866131-80-8
866131-80-8 | 1-benzoyl-3-{1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}thiourea
CAS No: 866131-80-8 Catalog No: AG00IRZI MDL No:MFCD03305742
Product Description
Catalog Number:
AG00IRZI
Chemical Name:
1-benzoyl-3-{1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}thiourea
CAS Number:
866131-80-8
Molecular Formula:
C17H17N5OS
Molecular Weight:
339.4148
MDL Number:
MFCD03305742
IUPAC Name:
N-[(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)carbamothioyl]benzamide
InChI:
InChI=1S/C17H17N5OS/c1-10-9-11(2)18-15-13(10)14(21-22(15)3)19-17(24)20-16(23)12-7-5-4-6-8-12/h4-9H,1-3H3,(H2,19,20,21,23,24)
InChI Key:
SNYLPHJHBWBBLX-UHFFFAOYSA-N
SMILES:
S=C(Nc1nn(c2c1c(C)cc(n2)C)C)NC(=O)c1ccccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.417g/mol
Monoisotopic Mass:
339.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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