CAS: 1209007-42-0
Nombre: ethyl 2-amino-6-methoxy-1-benzothiophene-3-carboxylate
SMILES:
CCOC(=O)C1=C(SC2=C1C=CC(=C2)OC)NMolecular Processing
Molecular formula
C12H13NO3S
Molecular weight
251.31
Exact mass
251.0616
XLogP
2.67
TPSA
61.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
68.75
Supplementary Information
InChIKey: IWVMBAUTNRSMEI-UHFFFAOYSA-N
Sinónimos
ethyl 2-amino-6-methoxybenzo[b]thiophene-3-carboxylateSCHEMBL6992051IWVMBAUTNRSMEI-UHFFFAOYSA-NNSC801672NSC-801672DB-4162361209007-42-0
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