Name: (S)-1-(4-dimethylaminophenethyl)-3-(4-nitrobenzoyloxy) pyrrolidine
SMILES:
CN(C)c1ccc(CCN2CC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1Molecular Processing
Molecular formula
C21H25N3O4
Molecular weight
383.45
Exact mass
383.1845
XLogP
3.13
TPSA
75.92
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
107.83
Supplementary Information
Details werden geladen…
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