Nom: 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-(trifluoromethyl)pyridin-2-yl]urea
SMILES:
CC1(C)OB(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)cc2)OC1(C)CMolecular Processing
Molecular formula
C19H21BF3N3O3
Molecular weight
407.2
Exact mass
407.1628
XLogP
4.04
TPSA
72.48
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
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
0.368
Molar refractivity
104.04
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→