CC(C)C1(C(=O)NCc2cc(C(F)(F)F)ccc2OC(C)(C)C)CCC(=O)C1
SMILES: CC(C)C1(C(=O)NCc2cc(C(F)(F)F)ccc2OC(C)(C)C)CCC(=O)C1

Molecular Processing

Molecular formula
C21H28F3NO3
Molecular weight
399.45
Exact mass
399.2021
XLogP
4.89
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
99.8

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→