SMILES:
COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccccc3F)C2)cc(OC)c1OCMolecular Processing
Molecular formula
C34H40FN3O5
Molecular weight
589.71
Exact mass
589.2952
XLogP
4.54
TPSA
94.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
162.3
Supplementary Information
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