SMILES:
CC(C)(C)CC1NC(C(=O)Nc2ccc(N3CCC(C(=O)O)CC3)cc2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1FMolecular Processing
Molecular formula
C35H36Cl2F2N4O3
Molecular weight
669.6
Exact mass
668.2133
XLogP
7.53
TPSA
105.46
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
46
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
175.28
Supplementary Information
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