Nom: N-azetidin-3-yl-2-(1-methyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetamide TFA salt
SMILES:
Cn1nc(NCC(=O)NC2CNC2)c2cc(C(F)(F)F)ccc21.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C16H17F6N5O3
Molecular weight
441.33
Exact mass
441.1236
XLogP
1.73
TPSA
108.28
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
92.7
Supplementary Information
Récupération des détails…
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