SMILES:
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC#N)c3ccccc3)c2=O)c1FMolecular Processing
Molecular formula
C32H29F5N4O3
Molecular weight
612.6
Exact mass
612.216
XLogP
5.97
TPSA
89.05
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
44
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.281
Molar refractivity
154.18
Supplementary Information
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