Basic information
- CAS
340307-07-5- Standard SMILES
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(I)o1- InChIKey
AHADMJWHILIYEG-VQHVLOKHSA-N- Molecular formula
- C15H8FIN2O3S
- Average molar mass
- 442.2 g/mol
- Monoisotopic mass
- 441.92844
Names & identifiers
- Preferred name
- (5E)-1-(2-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
- IUPAC
- (5E)-1-(2-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
340307-07-5STK0298421-(2-fluorophenyl)-5-[(5-iodo-2-furyl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedioneDTXSID40417416NSC727711AKOS003231510NSC-727711(5E)-1-(2-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione(5E)-1-(2-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dioneBIM-0047283.P001
Database identifiers
- CAS
340307-07-5- PubChem CID
- 5347292
- DTXSID
DTXSID40417416
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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