SMILES:
CCOC(=O)C1CCN(c2ccc(NC(=O)C3NC(CC(C)(C)C)C(C#N)(c4ccc(Cl)cc4F)C3c3cccc(Cl)c3F)cc2)CC1Molecular Processing
Molecular formula
C37H40Cl2F2N4O3
Molecular weight
697.65
Exact mass
696.2446
XLogP
8.01
TPSA
94.46
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
48
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
0.432
Molar refractivity
184.28
Supplementary Information
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