Name: (S)—((R)-quinuclidin-3-yl) 2-(tert-butoxycarbonylamino)-3-phenylpropanoate
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1CN2CCC1CC2Molecular Processing
Molecular formula
C21H30N2O4
Molecular weight
374.48
Exact mass
374.2206
XLogP
2.76
TPSA
67.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
102.35
Supplementary Information
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