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Basic information
- Standard SMILES
CCc1cc2c(=O)n(CC(=NOC)c3ccc(F)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1- InChIKey
HNABKMVVRRHDSE-UHFFFAOYSA-N- Molecular formula
- C32H26FN5O5S
- Average molar mass
- 611.6 g/mol
- Monoisotopic mass
- 611.16386828
Names & identifiers
- Preferred name
- 6-ethyl-3-[2-(4-fluorophenyl)-2-(methoxyimino)ethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-ethyl-3-[2-(4-fluorophenyl)-2-methoxyiminoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL2773776HNABKMVVRRHDSE-UHFFFAOYSA-N6-ethyl-3-[2-(4-fluorophenyl)-2-(methoxyimino)ethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 136348342
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
2 records
Compound notes
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