Basic information
- CAS
378758-11-3- Standard SMILES
C=CCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S- InChIKey
HQRZSGZURSESDK-UHFFFAOYSA-N- Molecular formula
- C22H24N4O2S2
- Average molar mass
- 440.6 g/mol
Names & identifiers
- Preferred name
- 5-[[7-Methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 5-[[7-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- (Z)-3-allyl-5-((7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
- Molecular formula
- C22H24N4O2S2
- Molecular weight
- 440.58
Names & synonyms
AKOS030699255(Z)-3-allyl-5-((7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one4H-Pyrido[1,2-a]pyrimidin-4-one, 7-methyl-2-(4-methyl-1-piperidinyl)-3-[[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]methyl]-
Database identifiers
- CAS
378758-11-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 981
Physicochemical properties
- Boiling point
- 487.22 · 487.220±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.357 · 1.357±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.345 · 1.345±0.70(predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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