SMILES:
Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)Nc1cc(C(F)(F)F)ccc1FMolecular Processing
Molecular formula
C21H23BF4N2O3
Molecular weight
438.23
Exact mass
438.1738
XLogP
5.1
TPSA
59.59
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
110.94
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→