Nombre: 2-benzoyl-1-(3,4,5-trimethoxybenzyl)-6,7-dichloro-1-cyano-1,2-dihydroisoquinoline
SMILES:
COc1cc(CC2(C#N)c3cc(Cl)c(Cl)cc3C=CN2C(=O)c2ccccc2)cc(OC)c1OCMolecular Processing
Molecular formula
C27H22Cl2N2O4
Molecular weight
509.39
Exact mass
508.0957
XLogP
6.11
TPSA
71.79
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
135.2
Supplementary Information
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