Name: 4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-piperidine-4- carboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(CCCc2ccccc2)CC1Molecular Processing
Molecular formula
C24H31NO5S
Molecular weight
445.58
Exact mass
445.1923
XLogP
3.5
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
119.98
Supplementary Information
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Involved in 9 reactions→