Nom: 2-[3-fluoro-5-(4-isopropyl-piperazin-1-yl)-phenyl]-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
SMILES:
CC(C)N1CCN(c2cc(F)cc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)CC1Molecular Processing
Molecular formula
C25H32FN3O2
Molecular weight
425.55
Exact mass
425.2479
XLogP
4.79
TPSA
55.81
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
122.57
Supplementary Information
Récupération des détails…
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