이름: 2-[1(S)-{(1,1-Dimethylethoxy)carbonylamino}-2-phenylethyl]-1-(2-oxo-butyl)-4-phenyl-1H-imidazole
SMILES:
CCC(=O)Cn1cc(-c2ccccc2)nc1[C@H](Cc1ccccc1)NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C26H31N3O3
Molecular weight
433.55
Exact mass
433.2365
XLogP
5.34
TPSA
73.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
125.22
Supplementary Information
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