Nom: 4-[3E-(5-benzo[b]thien-2-yl-2,4-dimethoxyphenyl)-acryloyl]-benzoic acid
SMILES:
COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C26H20O5S
Molecular weight
444.51
Exact mass
444.1031
XLogP
6.18
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
127.13
Supplementary Information
No supplementary data available
Impliqué dans 7 réactions→