Name: (5-chloro-2-{3-[3-(3-methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
SMILES:
Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3NC(=O)OC(C)(C)C)c2)on1Molecular Processing
Molecular formula
C25H23ClF3N3O5
Molecular weight
537.92
Exact mass
537.1278
XLogP
6.88
TPSA
110.53
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
130.56
Supplementary Information
Details werden geladen…
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