SMILES:
CC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1c1ccc(C(F)(F)F)c(Cl)c1Molecular Processing
Molecular formula
C22H29ClF3N3O2
Molecular weight
459.94
Exact mass
459.19
XLogP
3.63
TPSA
47.02
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
113.19
Supplementary Information
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