CCOC(=O)c1nc(N2CC[C@H](N)[C@H](OC)C2)sc1C
名称: ethyl cis(±)-2-(4-amino-3-methoxypiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILES: CCOC(=O)c1nc(N2CC[C@H](N)[C@H](OC)C2)sc1C

Molecular Processing

Molecular formula
C13H21N3O3S
Molecular weight
299.4
Exact mass
299.1304
XLogP
1.18
TPSA
77.68
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
78.41

Supplementary Information

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