Basic information
- CAS
721909-27-9- Standard SMILES
COc1ccc(NC(=O)COC(=O)Cc2ccsc2)c(OC)c1- InChIKey
DOLFGVCVXMJVAJ-UHFFFAOYSA-N- Molecular formula
- C16H17NO5S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.08274382
Names & identifiers
- Preferred name
- [2-(2,4-Dimethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
- IUPAC
- [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
Names & synonyms
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-thiophen-3-ylacetateMLS002246476CHEMBL2140487DTXSID001326011HMS3082O19STL299719AKOS022116414721909-27-9SMR001310088AB00715783-01Z184837922-(2,4-Dimethoxyanilino)-2-oxoethyl (thiophen-3-yl)acetate
Show more names
2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl thiophen-3-ylacetate
Database identifiers
- CAS
721909-27-9- PubChem CID
- 2437658
- DTXSID
DTXSID001326011- ChEMBL
CHEMBL2140487
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
Solubility50.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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