SMILES:
CC(C1CCN(C(=O)CCC2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCC(F)(F)C1Molecular Processing
Molecular formula
C30H33ClF2N4O
Molecular weight
539.07
Exact mass
538.2311
XLogP
6.06
TPSA
41.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
38
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
144.43
Supplementary Information
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