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ethyl 2-[4-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]acetate (HCID 90838697)|Huagongshe
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Compound
ethyl 2-[4-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]acetate
HCID
90838697
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCOC(=O)CC1CCc2c1ccc(-c1nccs1)c2C
InChIKey
KYNWULGLVARGIY-UHFFFAOYSA-N
Molecular formula
C17H19NO2S
Average molar mass
301.4 g/mol
Names & identifiers
Preferred name
ethyl 2-[4-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]acetate
IUPAC
ethyl 2-[4-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-inden-1-yl]acetate
Database identifiers
PubChem CID
90838697
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
376
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Related reactions
1 records
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As product
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As solvent
HRID
93494
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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