Basic information
- CAS
87626-71-9- Standard SMILES
CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3cccs3)oc12- InChIKey
RPOFIMKSJQISEF-UHFFFAOYSA-N- Molecular formula
- C21H23NO4S
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.13477939
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 2-(4-oxo-2-thiophen-2-ylchromen-8-yl)acetate
- IUPAC
- 2-(diethylamino)ethyl 2-(4-oxo-2-thiophen-2-ylchromen-8-yl)acetate
Names & synonyms
NSC35463887626-71-9DTXSID30320081NSC-3546382-(Diethylamino)ethyl [4-oxo-2-(thiophen-2-yl)-4H-1-benzopyran-8-yl]acetate
Database identifiers
- CAS
87626-71-9- PubChem CID
- 337276
- DTXSID
DTXSID30320081
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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