SMILES:
COC(=O)c1ccc2c(c1)CCCN2c1ncc(C(=O)N2CCOCC2)c(C(F)(F)F)n1Molecular Processing
Molecular formula
C21H21F3N4O4
Molecular weight
450.42
Exact mass
450.1515
XLogP
2.84
TPSA
84.86
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
106.87
Supplementary Information
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