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1458630-17-5 | CHR 6494 trifluoroacetate
CAS No: 1458630-17-5 Catalog No: AG00ATE9 MDL No:
Product Description
Catalog Number:
AG00ATE9
Chemical Name:
CHR 6494 trifluoroacetate
CAS Number:
1458630-17-5
Molecular Formula:
C18H17F3N6O2
Molecular Weight:
406.3618
IUPAC Name:
3-(1H-indazol-5-yl)-N-propylimidazo[1,2-b]pyridazin-6-amine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C16H16N6.C2HF3O2/c1-2-7-17-15-5-6-16-18-10-14(22(16)21-15)11-3-4-13-12(8-11)9-19-20-13;3-2(4,5)1(6)7/h3-6,8-10H,2,7H2,1H3,(H,17,21)(H,19,20);(H,6,7)
InChI Key:
ILWYDZNXJQESDI-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CCCNc1ccc2n(n1)c(cn2)c1ccc2c(c1)cn[nH]2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.137g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.369g/mol
Monoisotopic Mass:
406.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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