Name: (2S)-1-[N-(t-butoxycarbonyl)-L-prolyl]-2-[1-hydroxy-2-(4-methoxyphenoxy) ethyl]pyrrolidine
SMILES:
COc1ccc(OCC(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C23H34N2O6
Molecular weight
434.53
Exact mass
434.2417
XLogP
2.83
TPSA
88.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.652
Molar refractivity
115.19
Supplementary Information
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