1-(4-Fluorophenyl)-5-[[1-(2-methylpropyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Basic information
- CAS
665009-35-8- Standard SMILES
CC(C)Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21- InChIKey
AOYGGTQPIDNWRL-UHFFFAOYSA-N- Molecular formula
- C23H20FN3O2S
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-5-[[1-(2-methylpropyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 1-(4-fluorophenyl)-5-[[1-(2-methylpropyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 1-(4-fluorophenyl)-5-[(1-isobutyl-1H-indol-3-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- Molecular formula
- C23H20FN3O2S
- Molecular weight
- 421.49
Names & synonyms
1-(4-fluorophenyl)-5-[(1-isobutyl-1H-indol-3-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Database identifiers
- CAS
665009-35-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 732
Physicochemical properties
- Density
- 1.32 · 1.320±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.91 · 8.910±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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