Name: 3-(3-carbomethoxy-2-bromoanilino)-5(4-trifluoromethylphenyl)-cyclohex-2-en-1-one
SMILES:
COC(=O)c1cccc(NC2=CC(=O)CC(c3ccc(C(F)(F)F)cc3)C2)c1BrMolecular Processing
Molecular formula
C21H17BrF3NO3
Molecular weight
468.27
Exact mass
467.0344
XLogP
5.7
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
105.61
Supplementary Information
Details werden geladen…
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