N#Cc1ccccc1N1CCN(C(=O)C2CC(N(Cc3ccc(F)cc3F)C(=O)OCC(Cl)(Cl)Cl)CN2Cc2cccc(F)c2F)CC1
SMILES: N#Cc1ccccc1N1CCN(C(=O)C2CC(N(Cc3ccc(F)cc3F)C(=O)OCC(Cl)(Cl)Cl)CN2Cc2cccc(F)c2F)CC1

Molecular Processing

Molecular formula
C33H30Cl3F4N5O3
Molecular weight
726.99
Exact mass
725.135
XLogP
6.42
TPSA
80.12
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
48
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
172.45

Supplementary Information

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