CCOC(=O)C1=CN=C(S1)N2CCC(C(C2)OC)N
名称: ethyl 2-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILES: CCOC(=O)C1=CN=C(S1)N2CCC(C(C2)OC)N

Molecular Processing

Molecular formula
C12H19N3O3S
Molecular weight
285.37
Exact mass
285.1147
XLogP
0.87
TPSA
77.68
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
73.67

Supplementary Information

InChIKey: DRXVMMAOUFODII-DTWKUNHWSA-N
同義語
DRXVMMAOUFODII-DTWKUNHWSA-Nethyl cis(+/-)-2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate
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