الاسم: 5-(4-hydroxy-4-phenyl-piperidin-1-yl)-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1Cc2ccc(N3CCC(O)(c4ccccc4)CC3)cc2C1Molecular Processing
Molecular formula
C24H30N2O3
Molecular weight
394.52
Exact mass
394.2256
XLogP
4.43
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
113.71
Supplementary Information
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