SMILES:
COCC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1Molecular Processing
Molecular formula
C27H40F3N3O3
Molecular weight
511.63
Exact mass
511.3022
XLogP
4.19
TPSA
54.04
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.741
Molar refractivity
132.87
Supplementary Information
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