SMILES:
C#CCCC(O)=C(C#N)CC(=O)Nc1ccc(C(F)(F)F)cc1.NCCCC[C@H](N)C(=O)OMolecular Processing
Molecular formula
C22H27F3N4O4
Molecular weight
468.48
Exact mass
468.1984
XLogP
3.31
TPSA
162.46
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
33
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
116.54
Supplementary Information
Récupération des détails…
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