Cc1c(N2CCN(Cc3ccccc3)C(CO)C2)c(=O)n(C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
SMILES: Cc1c(N2CCN(Cc3ccccc3)C(CO)C2)c(=O)n(C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F

Molecular Processing

Molecular formula
C38H43F4N5O5
Molecular weight
725.78
Exact mass
725.32
XLogP
5.47
TPSA
109.04
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
52
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.395
Molar refractivity
188.69

Supplementary Information

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