Name: α-(3,4-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-α-[(4-methylphenyl)thio]-2(1H)-isoquinolinepentanenitrile
SMILES:
COc1ccc(C(C#N)(CCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCMolecular Processing
Molecular formula
C31H36N2O4S
Molecular weight
532.71
Exact mass
532.2396
XLogP
6.38
TPSA
63.95
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
151.63
Supplementary Information
Details werden geladen…
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