Nombre: ethyl 6-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-ethyl-1-benzothiophene-2-carboxylate
SMILES:
CCC1=C(SC2=C1C=CC(=C2)NC(=O)C3=NC(=C(N3)CC)Cl)C(=O)OCCMolecular Processing
Molecular formula
C19H20ClN3O3S
Molecular weight
405.91
Exact mass
405.0914
XLogP
4.83
TPSA
84.08
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
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
0.316
Molar refractivity
108.09
Supplementary Information
InChIKey: BMBDVYRXHSWBAE-UHFFFAOYSA-N
Sinónimos
SCHEMBL2821991BMBDVYRXHSWBAE-UHFFFAOYSA-NEthyl 6-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-ethyl-1-benzothiophene-2-carboxylate
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