الاسم: (3aRS,4RS,5RS,7aSR)-2-benzyl-4-(2-methoxyphenyl)-5-methyl-4-perhydroisoindolol
SMILES:
COc1ccccc1C1(O)C(C)CCC2CN(Cc3ccccc3)CC21Molecular Processing
Molecular formula
C23H29NO2
Molecular weight
351.49
Exact mass
351.2198
XLogP
4.06
TPSA
32.7
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
103.99
Supplementary Information
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