Name: ethyl 2-(2,3-dichloro-6-nitroanilino)benzo[b]thiophene-3-carboxylate
SMILES:
CCOC(=O)c1c(Nc2c([N+](=O)[O-])ccc(Cl)c2Cl)sc2ccccc12Molecular Processing
Molecular formula
C17H12Cl2N2O4S
Molecular weight
411.27
Exact mass
409.9895
XLogP
6.04
TPSA
81.47
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
104.18
Supplementary Information
Details werden geladen…
An 5 Reaktionen beteiligt→