1-(2-Ethylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Basic information
- CAS
347385-60-8- Standard SMILES
CCc1ccccc1N1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)NC1=S- InChIKey
KFXTUMUIMPJGGS-UHFFFAOYSA-N- Molecular formula
- C22H23N3O3S
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- 1-(2-Ethylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 1-(2-ethylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 1-(2-ethylphenyl)-5-{[5-(1-piperidinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- Molecular formula
- C22H23N3O3S
- Molecular weight
- 409.5
Names & synonyms
1-(2-ethylphenyl)-5-{[5-(1-piperidinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione4,6(1H,5H)-Pyrimidinedione, 1-(2-ethylphenyl)dihydro-5-[[5-(1-piperidinyl)-2-furanyl]methylene]-2-thioxo-
Database identifiers
- CAS
347385-60-8
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 689
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 5.68 · 5.68±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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