الاسم: 4-(4-Benzyloxy-benzenesulfonyl)-1-benzyl-piperidine-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCN(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C28H31NO5S
Molecular weight
493.63
Exact mass
493.1923
XLogP
4.64
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
134.72
Supplementary Information
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