Nombre: 4-chloro-N-[(3R,4S)-3-ethoxypiperidin-4-yl]-5-ethyl-1H-imidazole-2-carboxamide;hydrochloride
SMILES:
CCC1=C(N=C(N1)C(=O)NC2CCNCC2OCC)Cl.ClMolecular Processing
Molecular formula
C13H22Cl2N4O2
Molecular weight
337.25
Exact mass
336.112
XLogP
1.54
TPSA
79.04
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.692
Molar refractivity
84.38
Supplementary Information
InChIKey: WGTQGOPNUYSERT-BAUSSPIASA-N
Sinónimos
WGTQGOPNUYSERT-BAUSSPIASA-Ncis(+/-)-4-Chloro-N-(3-ethoxypiperidin-4-yl)-5-ethyl-1H-imidazole-2-carboxamide hydrochloride
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