Nom: 2-[3-fluoro-5-(4-isopropyl-piperazin-1-yl)-phenyl]-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(N3CCN(C(C)C)CC3)c1)N2Molecular Processing
Molecular formula
C27H36FN3O2
Molecular weight
453.6
Exact mass
453.2792
XLogP
5.27
TPSA
44.81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33
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
0.519
Molar refractivity
131.57
Supplementary Information
Récupération des détails…
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