Nombre: (S)-3-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-4-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-4-oxo-butanoic acid
SMILES:
CN1CCN(C2CCN(C(=O)[C@H](CC(=O)O)Cc3cc(Cl)c(N)c(C(F)(F)F)c3)CC2)CC1Molecular Processing
Molecular formula
C22H30ClF3N4O3
Molecular weight
490.95
Exact mass
490.1959
XLogP
2.81
TPSA
90.11
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
118.99
Supplementary Information
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