SMILES:
CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=NC#N)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=OMolecular Processing
Molecular formula
C27H30F2N8O2
Molecular weight
536.59
Exact mass
536.246
XLogP
2.86
TPSA
122.41
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
140.76
Supplementary Information
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