Name: 1-[4-acetylamino-5-chloro-2-(3,5-dimethoxybenzyloxy)phenyl]-5-chloropentan-1-one
SMILES:
COc1cc(COc2cc(NC(C)=O)c(Cl)cc2C(=O)CCCCCl)cc(OC)c1Molecular Processing
Molecular formula
C22H25Cl2NO5
Molecular weight
454.35
Exact mass
453.111
XLogP
5.49
TPSA
73.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
118.54
Supplementary Information
Details werden geladen…
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