SMILES:
CNC(=O)C12CCC(N(CC(=O)N3CC(F)CC3C#N)C(=O)OCc3ccccc3)(CC1)CC2Molecular Processing
Molecular formula
C25H31FN4O4
Molecular weight
470.55
Exact mass
470.2329
XLogP
2.93
TPSA
102.74
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
120.89
Supplementary Information
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