이름: 1-[3-(4-chloro-benzoylamino)-benzyl]-piperidine-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1Molecular Processing
Molecular formula
C22H25ClN2O3
Molecular weight
400.91
Exact mass
400.1554
XLogP
4.37
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
110.48
Supplementary Information
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