Name: 161
SMILES:
COc1c(N2CCC(=C(Cl)CN(C)Cc3ccccc3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C31H32ClF4N3O6
Molecular weight
654.06
Exact mass
653.1916
XLogP
6.04
TPSA
112.31
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.387
Molar refractivity
160.74
Supplementary Information
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Involved in 3 reactions→