SMILES:
CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C3(c4ccc(F)cc4Cl)CCCCC3)CC2)c1Molecular Processing
Molecular formula
C31H41ClFN3O2
Molecular weight
542.14
Exact mass
541.2871
XLogP
6.66
TPSA
61.44
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
152.12
Supplementary Information
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