Name: (E)-3-[2-n-Butyl-1-{(2-nitrophenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid
SMILES:
CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C22H23N3O4S
Molecular weight
425.51
Exact mass
425.1409
XLogP
4.95
TPSA
98.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
116.67
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→