이름: methyl cis(±)-5-(4-amino-3-methoxypiperidin-1-yl)-3-methylthiophene-2-carboxylate
SMILES:
COC(=O)c1sc(N2CC[C@H](N)[C@H](OC)C2)cc1CMolecular Processing
Molecular formula
C13H20N2O3S
Molecular weight
284.38
Exact mass
284.1195
XLogP
1.4
TPSA
64.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
76
Supplementary Information
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