Name: 1-benzyl-3-[3-(naphthalene-1-sulfonylmethyl)-4-nitro-phenoxy]-pyrrolidine
SMILES:
O=[N+]([O-])c1ccc(OC2CCN(Cc3ccccc3)C2)cc1CS(=O)(=O)c1cccc2ccccc12Molecular Processing
Molecular formula
C28H26N2O5S
Molecular weight
502.59
Exact mass
502.1562
XLogP
5.38
TPSA
89.75
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
138.69
Supplementary Information
Details werden geladen…
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