이름: ethyl 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-phenylethyl}piperidine-4-carboxylate
SMILES:
CCOC(=O)C1CCN(C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1Molecular Processing
Molecular formula
C21H32N2O4
Molecular weight
376.5
Exact mass
376.2362
XLogP
3.53
TPSA
67.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
104.35
Supplementary Information
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