SMILES:
CC(C)(C)c1cc(CN(CC2CCCCC2)C(C)(C)C)c(O)c(-c2ccc(C(F)(F)F)nc2)c1.ClMolecular Processing
Molecular formula
C28H40ClF3N2O
Molecular weight
513.09
Exact mass
512.2781
XLogP
8.37
TPSA
36.36
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.607
Molar refractivity
139.03
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→