SMILES:
CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(C#N)cc2)c2ccccc21Molecular Processing
Molecular formula
C26H22ClN3O2
Molecular weight
443.93
Exact mass
443.1401
XLogP
5.74
TPSA
64.41
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
125.84
Supplementary Information
Details werden geladen…
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