이름: tert-butyl (3RS,4RS)-4-[4-(3-benzylsulphanyl-propoxy)-phenyl]-3-hydroxy-piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(c2ccc(OCCCSCc3ccccc3)cc2)C(O)C1Molecular Processing
Molecular formula
C26H35NO4S
Molecular weight
457.64
Exact mass
457.2287
XLogP
5.47
TPSA
59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
130.33
Supplementary Information
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