Nom: 3-{2[5-trifluoromethyl-2-(4-fluorobenzyloxy)phenyl]cyclopent-1-enyl}-6-aminobenzoic acid ethyl ester
SMILES:
CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(F)cc3)CCC2)ccc1NMolecular Processing
Molecular formula
C28H25F4NO3
Molecular weight
499.5
Exact mass
499.1771
XLogP
7.28
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
129.65
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→