Nom: tert-butyl trans(±)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(ethylamino)piperidine-1-carboxylate
SMILES:
CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1Molecular Processing
Molecular formula
C18H30ClN5O3
Molecular weight
399.92
Exact mass
399.2037
XLogP
2.34
TPSA
99.35
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
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
0.722
Molar refractivity
104.12
Supplementary Information
Récupération des détails…
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