Basic information
- CAS
477734-59-1- Standard SMILES
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)c4ccccc4)C3=O)c(N3CCN(CCO)CC3)nc12- InChIKey
FIPNOCXUXRPFGK-XLNRJJMWSA-N- Molecular formula
- C27H29N5O3S2
- Average molar mass
- 535.7 g/mol
- Monoisotopic mass
- 535.17118215
Overview
See other relationships...
Names & identifiers
- Preferred name
- 5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-
- IUPAC
- (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L247073-1EA
- Molecular formula
- C27H29N5O3S2
- Molecular weight
- 535.68
Names & synonyms
477734-59-15-({2-[4-(2-Hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one(Z)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-oneAC1NZJ9Q5-((2-(4-(2-Hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(1-phenylethyl)-2-sulfanylidene-DTXSID90421341C27H29N5O3S2MFCD03301080STK703884AKOS001669661AKOS016299214
Show more names
SALOR-INT L247073-1EA4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[4-(2-hydroxyethyl)-1-piperazinyl]-9-methyl-3-[[4-oxo-3-(1-phenylethyl)-2-thioxo-5-thiazolidinylidene]methyl]-2-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-9-METHYL-3-((Z)-[4-OXO-3-(1-PHENYLETHYL)-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Boiling point
- 613.2 · 613.2±65.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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