Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(NC(=O)OC(C)(C)C)C(C)C)CC1
SMILES: Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(NC(=O)OC(C)(C)C)C(C)C)CC1

Molecular Processing

Molecular formula
C39H54FN5O3
Molecular weight
659.89
Exact mass
659.4211
XLogP
7.54
TPSA
79.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
48
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
187.38

Supplementary Information

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