CC1CN(c2ccc3ccccc3n2)CC(C)N1CCCCC1(C(=O)NCc2ccc(F)cc2)c2ccccc2-c2ccccc21
SMILES: CC1CN(c2ccc3ccccc3n2)CC(C)N1CCCCC1(C(=O)NCc2ccc(F)cc2)c2ccccc2-c2ccccc21

Molecular Processing

Molecular formula
C40H41FN4O
Molecular weight
612.79
Exact mass
612.3264
XLogP
7.73
TPSA
48.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
46
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
184.34

Supplementary Information

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