Name: (3aRS,5RS,7SR,7aRS)-5-acetoxy-2-benzyl-7-methyl-7-phenyl-4-perhydroisoindolone
SMILES:
CC(=O)OC1CC(C)(c2ccccc2)C2CN(Cc3ccccc3)CC2C1=OMolecular Processing
Molecular formula
C24H27NO3
Molecular weight
377.48
Exact mass
377.1991
XLogP
3.6
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
107.67
Supplementary Information
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