2-Oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl 3-(Allylthio)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carboxylate
Basic information
- Standard SMILES
C=CCSc1ccc2c3c(cccc13)C1=NC(=O)C(C(=O)OCC(=O)OCC(F)(F)C(F)(F)F)=C12- InChIKey
NVVXFTANYNUPOQ-UHFFFAOYSA-N- Molecular formula
- C23H14F5NO5S
- Average molar mass
- 511.4 g/mol
- Monoisotopic mass
- 511.05128453
Names & identifiers
- Preferred name
- 2-Oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl 3-(Allylthio)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carboxylate
- IUPAC
- [2-oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl] 8-oxo-3-prop-2-enylsulfanylacenaphthyleno[1,2-b]pyrrole-9-carboxylate
Names & synonyms
CHEMBL17847422-Oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl 3-(Allylthio)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carboxylateDTXSID601348574BDBM50345470
Database identifiers
- PubChem CID
- 46183178
- DTXSID
DTXSID601348574- ChEMBL
CHEMBL1784742
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 991
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Compound notes
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