Cl.Cl.O=c1[nH]c(=O)n(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)cc1-c1cccnc1Cl
SMILES: Cl.Cl.O=c1[nH]c(=O)n(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)cc1-c1cccnc1Cl

Molecular Processing

Molecular formula
C24H24Cl3F3N4O2
Molecular weight
563.84
Exact mass
562.0917
XLogP
4.78
TPSA
70.99
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
3
Fraction Csp3
0.375
Molar refractivity
136.35

Supplementary Information

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