2-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one
Basic information
- CAS
361994-95-8- Standard SMILES
COCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S- InChIKey
MAZGSJHGXNWINK-PEZBUJJGSA-N- Molecular formula
- C21H25N5O4S2
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.13479664
Names & identifiers
- Preferred name
- 2-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one
- IUPAC
- (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L247324-1EA
- Molecular formula
- C21H25N5O4S2
- Molecular weight
- 475.59
Names & synonyms
2-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-3-{(Z)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE2-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-3-((Z)-(3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONERefChem:456258361994-95-8650-080-1HMS604H11AKOS001635015(Z)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(2-methoxyethyl)-2-thioxothiazolidin-4-oneSALOR-INT L247324-1EA4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[4-(2-hydroxyethyl)-1-piperazinyl]-3-[[3-(2-methoxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-3-((Z)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
Database identifiers
- CAS
361994-95-8- PubChem CID
- 1903136
- EC Number
- 650-080-1
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 963
Physicochemical properties
- Boiling point
- 554.2 · 554.2±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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