Name: tert-butyl trans(±)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(1-ethylpropyl)amino]piperidine-1-carboxylate
SMILES:
CCc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2NC(CC)CC)nc1ClMolecular Processing
Molecular formula
C21H36ClN5O3
Molecular weight
442
Exact mass
441.2507
XLogP
3.51
TPSA
99.35
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
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
0.762
Molar refractivity
117.95
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→