Basic information
- CAS
347387-74-0- Standard SMILES
Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc2c(c1)OCO2- InChIKey
FIXFIOUEUGFGEF-UHFFFAOYSA-N- Molecular formula
- C24H18FN3O4S
- Average molar mass
- 463.5 g/mol
Names & identifiers
- Preferred name
- 5-[[1-(1,3-Benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- Molecular formula
- C24H18FN3O4S
- Molecular weight
- 463.48
Names & synonyms
5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione4,6(1H,5H)-Pyrimidinedione, 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-1-(2-fluorophenyl)dihydro-2-thioxo-
Database identifiers
- CAS
347387-74-0
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 854
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 5.56 · 5.56±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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