Nombre: cis(±)-N-(1-carbamothioyl-3-methoxypiperidin-4-yl)-4-chloro-5-ethyl-1H-imidazole-2-carboxamide
SMILES:
CCc1[nH]c(C(=O)N[C@H]2CCN(C(N)=S)C[C@H]2OC)nc1ClMolecular Processing
Molecular formula
C13H20ClN5O2S
Molecular weight
345.86
Exact mass
345.1026
XLogP
0.69
TPSA
96.27
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
88
Supplementary Information
Obteniendo detalles…
Participa en 6 reacciones→