Nom: tert-butyl 4-(4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate
SMILES:
CC(C)(C)OC(=O)c1ccc(Nc2nc(Cl)nc(OCC(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C16H16ClF3N4O3
Molecular weight
404.78
Exact mass
404.0863
XLogP
4.17
TPSA
86.23
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
91.28
Supplementary Information
Récupération des détails…
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