الاسم: 6-formyl-benzo[b]thiophene-2-carboxylic acid (1-isobutoxy-ethoxy) amide
SMILES:
CC(C)COC(C)ONC(=O)c1cc2ccc(C=O)cc2s1Molecular Processing
Molecular formula
C16H19NO4S
Molecular weight
321.4
Exact mass
321.1035
XLogP
3.39
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
86.02
Supplementary Information
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