COCC1COCCN1CC#CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(C)c(C)c2)C1
SMILES: COCC1COCCN1CC#CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(C)c(C)c2)C1

Molecular Processing

Molecular formula
C32H37F6N3O3
Molecular weight
625.65
Exact mass
625.2739
XLogP
5.06
TPSA
45.25
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
44
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.531
Molar refractivity
153.16

Supplementary Information

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