SMILES:
Cn1c(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2cc(OC3(C4CCNC(CCNC=O)C4)C=CC=CN3)ccc21Molecular Processing
Molecular formula
C28H30ClF3N6O2
Molecular weight
575.04
Exact mass
574.2071
XLogP
5.24
TPSA
92.24
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
148.42
Supplementary Information
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