名称: Ethyl 6-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-ethyl-1-benzothiophene-2-carboxylate
SMILES:
CCOC(=O)c1sc2cc(NC(=O)c3nc(Cl)c(CC)[nH]3)ccc2c1CCMolecular 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
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