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4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (HCID 178495334)|Huagongshe
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Compound
4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
HCID
178495334
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Basic information
Standard SMILES
COCCCOc1cc(CC(CC2NC(=O)OC2CN2CCCCC2=O)C(C)C)ccc1OC
InChIKey
HDESBGZCXOBDEH-UHFFFAOYSA-N
Molecular formula
C26H40N2O6
Average molar mass
476.6 g/mol
Monoisotopic mass
476.288637
Names & identifiers
IUPAC
4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-5-[(2-oxopiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
Database identifiers
PubChem CID
77524566
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
86.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
34
Formal charge
0
Complexity
645
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HRID
318994
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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