Name: 1-[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)-phenyl]urea
SMILES:
CC1(C)OB(c2cc(F)c(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2F)OC1(C)CMolecular Processing
Molecular formula
C20H19BF6N2O3
Molecular weight
460.18
Exact mass
460.1393
XLogP
5.07
TPSA
59.59
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
106.12
Supplementary Information
Details werden geladen…
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