Nom: ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
SMILES:
CCOC(=O)c1c(N)sc(-c2ccc([N+](=O)[O-])cc2)c1CMolecular Processing
Molecular formula
C14H14N2O4S
Molecular weight
306.34
Exact mass
306.0674
XLogP
3.39
TPSA
95.46
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
81.52
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→