CC(O)CNC(=O)CC1CCN(C(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)CC1
SMILES: CC(O)CNC(=O)CC1CCN(C(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)CC1

Molecular Processing

Molecular formula
C33H40Cl2F2N4O3
Molecular weight
649.61
Exact mass
648.2446
XLogP
5.72
TPSA
105.46
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
44
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
166.25

Supplementary Information

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