Name: methyl-4-[(2-Butyl-5-formyl-4-iodo-1H-imidazol-1-yl)methyl]naphthalene-1-carboxylate
SMILES:
CCCCc1nc(I)c(C=O)n1Cc1ccc(C(=O)OC)c2ccccc12Molecular Processing
Molecular formula
C21H21IN2O3
Molecular weight
476.31
Exact mass
476.0597
XLogP
4.63
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
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
0.286
Molar refractivity
113.33
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→