名称: 3-[4-(2-tert-butyl-5-methyl-oxazol-4-ylmethoxy)-benzo[b]thiophen-7-yl]-2-ethoxy-propionic acid ethyl ester
SMILES:
CCOC(=O)C(Cc1ccc(OCc2nc(C(C)(C)C)oc2C)c2ccsc12)OCCMolecular Processing
Molecular formula
C24H31NO5S
Molecular weight
445.58
Exact mass
445.1923
XLogP
5.58
TPSA
70.79
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
121.85
Supplementary Information
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