O=C(Nc1ccc2c(c1)C(F)(F)C(F)(F)O2)N1CC(c2ccccc2)=C(c2ccc(OC(F)F)cc2)N1
SMILES: O=C(Nc1ccc2c(c1)C(F)(F)C(F)(F)O2)N1CC(c2ccccc2)=C(c2ccc(OC(F)F)cc2)N1

Molecular Processing

Molecular formula
C25H17F6N3O3
Molecular weight
521.42
Exact mass
521.1174
XLogP
6.29
TPSA
62.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
121.1

Supplementary Information

Récupération des détails…

Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→