SMILES:
N#CN=C(N[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(c2cc3cccc(F)c3[nH]c2=O)CC1Molecular Processing
Molecular formula
C29H25ClF4N8O2
Molecular weight
629.02
Exact mass
628.1725
XLogP
4.32
TPSA
133.27
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
154.33
Supplementary Information
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