Name: 2-[phenethyl]-5-[(3,4-methylenedioxy)benzoyl]pyrrolidine trifluoroacetate
SMILES:
O=C(O)C(F)(F)F.O=C(c1ccc2c(c1)OCO2)[C@H]1CC[C@H](CCc2ccccc2)N1Molecular Processing
Molecular formula
C22H22F3NO5
Molecular weight
437.41
Exact mass
437.145
XLogP
3.98
TPSA
84.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
105.3
Supplementary Information
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