2-[4-(Benzyloxy)-2-(hydroxymethyl)-5-methoxyphenyl]-N-[2-(thiophen-3-yl)ethyl]acetamide
Basic information
- CAS
75218-53-0- Standard SMILES
COc1cc(CC(=O)NCCc2ccsc2)c(CO)cc1OCc1ccccc1- InChIKey
QJXOKDLFPJXZMQ-UHFFFAOYSA-N- Molecular formula
- C23H25NO4S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.15042945
Names & identifiers
- Preferred name
- 2-[4-(Benzyloxy)-2-(hydroxymethyl)-5-methoxyphenyl]-N-[2-(thiophen-3-yl)ethyl]acetamide
- IUPAC
- 2-[2-(hydroxymethyl)-5-methoxy-4-phenylmethoxyphenyl]-N-(2-thiophen-3-ylethyl)acetamide
Names & synonyms
75218-53-0NSC345761DTXSID10319473NSC-3457612-[4-(Benzyloxy)-2-(hydroxymethyl)-5-methoxyphenyl]-N-[2-(thiophen-3-yl)ethyl]acetamide
Database identifiers
- CAS
75218-53-0- PubChem CID
- 335595
- DTXSID
DTXSID10319473
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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