Name: 1-(N-ethyl-p-methoxybenzimidoyl)-6-(2-chloro-2-methylpropionyl)-1,2,3,4-tetrahydroquinoline
SMILES:
CCN=C(c1ccc(OC)cc1)N1CCCc2cc(C(=O)C(C)(C)Cl)ccc21Molecular Processing
Molecular formula
C23H27ClN2O2
Molecular weight
398.93
Exact mass
398.1761
XLogP
5.11
TPSA
41.9
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
116.44
Supplementary Information
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