SMILES:
COC(=O)NC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1Molecular Processing
Molecular formula
C20H18ClF3N4O3
Molecular weight
454.84
Exact mass
454.102
XLogP
4.73
TPSA
83.03
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
109.1
Supplementary Information
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