Name: N-[{1-[(2-Chlorophenyl)methyl]-2-n-butyl-1H-imidazol-5-yl}methyl]phenylalanine methyl ester
SMILES:
CCCCc1ncc(CN[C@@H](Cc2ccccc2)C(=O)OC)n1Cc1ccccc1ClMolecular Processing
Molecular formula
C25H30ClN3O2
Molecular weight
439.99
Exact mass
439.2027
XLogP
4.8
TPSA
56.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
31
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
0.36
Molar refractivity
124.18
Supplementary Information
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