COc1ccc2c(c1)CCN(C1CCN(c3cc(C)nc(C(=O)N4CCc5cc(F)ccc54)c3)CC1)C(=O)N2
SMILES: COc1ccc2c(c1)CCN(C1CCN(c3cc(C)nc(C(=O)N4CCc5cc(F)ccc54)c3)CC1)C(=O)N2

Molecular Processing

Molecular formula
C30H32FN5O3
Molecular weight
529.62
Exact mass
529.2489
XLogP
4.8
TPSA
78.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
39
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
148.41

Supplementary Information

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