Basic information
- CAS
351516-17-1- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2C1c1ccc(SC)cc1- InChIKey
UTFCBHTVXJBIDU-UHFFFAOYSA-N- Molecular formula
- C27H29N3O4S2
- Average molar mass
- 523.7 g/mol
- Monoisotopic mass
- 523.15994876
Names & identifiers
- Preferred name
- ethyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(5-piperidin-1-ylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(5-piperidin-1-ylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[5-(1-piperidinyl)-2-furyl]methylene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C27H29N3O4S2
- Molecular weight
- 523.67
Names & synonyms
Oprea1_772915ethyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[5-(1-piperidinyl)-2-furyl]methylene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
351516-17-1- PubChem CID
- 4583948
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 951
Physicochemical properties
- Boiling point
- 674.697 · 674.697±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.362 · 1.362±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.484 · 3.484±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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