C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2N(C)CCC)cc(F)c1NS(C)(=O)=O
SMILES: C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2N(C)CCC)cc(F)c1NS(C)(=O)=O

Molecular Processing

Molecular formula
C23H24F4N4O3S
Molecular weight
512.53
Exact mass
512.1505
XLogP
3.77
TPSA
91.4
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
126.48

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→