Name: 2-(2-[4-(benzyloxy)phenoxy]-1-hydroxyethyl}-1-[N-(3-phenylpropionyl)-L-prolyl]pyrrolidine
SMILES:
O=C([C@@H]1CCCN1C(=O)CCc1ccccc1)N1CCCC1C(O)COc1ccc(OCc2ccccc2)cc1Molecular Processing
Molecular formula
C33H38N2O5
Molecular weight
542.68
Exact mass
542.2781
XLogP
4.62
TPSA
79.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
152.95
Supplementary Information
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