Cc1ccc(CC2CN(CC#CCN3CCOCC3C(=O)O)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C
SMILES: Cc1ccc(CC2CN(CC#CCN3CCOCC3C(=O)O)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

Molecular Processing

Molecular formula
C31H33F6N3O4
Molecular weight
625.61
Exact mass
625.2375
XLogP
4.5
TPSA
73.32
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
44
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.484
Molar refractivity
148.92

Supplementary Information

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