Name: 1-[(2'-carboxybiphenyl-4-yl)methyl]-2-butyl-4-chloroimidazole-5-carboxaldehyde
SMILES:
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1Molecular Processing
Molecular formula
C22H21ClN2O3
Molecular weight
396.87
Exact mass
396.1241
XLogP
5.11
TPSA
72.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
109.18
Supplementary Information
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