Basic information
- CAS
5704-37-0- Standard SMILES
COC(=O)c1c(NC(=O)C=Cc2ccc(C)o2)sc(C)c1C- InChIKey
MAPWVHKBGBOJDF-UHFFFAOYSA-N- Molecular formula
- C16H17NO4S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.0878292
Names & identifiers
- Preferred name
- Methyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)prop-2-enamido]thiophene-3-carboxylate
- IUPAC
- methyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]thiophene-3-carboxylate
Names & synonyms
DTXSID20357821Methyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)prop-2-enamido]thiophene-3-carboxylate
Database identifiers
- CAS
5704-37-0- PubChem CID
- 868993
- DTXSID
DTXSID20357821
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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