SMILES:
CC(O)CCNc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1Molecular Processing
Molecular formula
C22H21ClF3N5O3
Molecular weight
495.89
Exact mass
495.1285
XLogP
5.77
TPSA
108.4
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
122.43
Supplementary Information
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