Basic information
- CAS
370844-96-5- Standard SMILES
CN(C)c1ccc(C=C2SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1- InChIKey
LRACLWPYFCTBOB-UHFFFAOYSA-N- Molecular formula
- C23H26N4OS
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.18273264
Names & identifiers
- Preferred name
- 2-(4-Benzylpiperazin-1-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazol-4-one
- IUPAC
- 2-(4-benzylpiperazin-1-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazol-4-one
- English name
- 2-(4-benzyl-1-piperazinyl)-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one
- Molecular formula
- C23H26N4OS
- Molecular weight
- 406.54
Names & synonyms
2-(4-benzyl-1-piperazinyl)-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one4(5H)-Thiazolone, 5-[[4-(dimethylamino)phenyl]methylene]-2-[4-(phenylmethyl)-1-piperazinyl]-
Database identifiers
- CAS
370844-96-5- PubChem CID
- 988968
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- Boiling point
- 568 · 568.0±60.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 6.52 · 6.52±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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