이름: Benzyl cis(±)-[1-(1H-imidazol-1-ylthiocarbonyl)-3-methoxypiperidin-4-yl]-carbamate
SMILES:
CO[C@@H]1CN(C(=S)n2ccnc2)CC[C@@H]1NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C18H22N4O3S
Molecular weight
374.47
Exact mass
374.1413
XLogP
2.03
TPSA
68.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
100.76
Supplementary Information
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