SMILES:
COc1cc(CC2CN(Cc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OMolecular Processing
Molecular formula
C28H26F6N2O3
Molecular weight
552.52
Exact mass
552.1848
XLogP
6.01
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
131.35
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→