名称: (2,4-Bis-benzyloxy-5-isopropenyl-phenyl)-[5-(4-hydroxy-1-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone
SMILES:
C=C(C)c1cc(C(=O)N2Cc3ccc(C4(O)CCN(C)CC4)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1Molecular Processing
Molecular formula
C38H40N2O4
Molecular weight
588.75
Exact mass
588.2988
XLogP
6.95
TPSA
62.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.289
Molar refractivity
173.35
Supplementary Information
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