Basic information
- CAS
445405-32-3- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C)c3C)c(=O)n2C1c1ccc(C(C)C)cc1- InChIKey
MGUWYJFCDLXKDA-UHFFFAOYSA-N- Molecular formula
- C27H31N3O3S
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.20861303
Names & identifiers
- Preferred name
- ethyl 7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-2-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-2-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-(4-isopropylphenyl)-7-methyl-3-oxo-2-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C27H31N3O3S
- Molecular weight
- 477.62
Names & synonyms
Oprea1_322072ethyl 5-(4-isopropylphenyl)-7-methyl-3-oxo-2-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-7-methyl-5-[4-(1-methylethyl)phenyl]-3-oxo-2-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-, ethyl ester
Database identifiers
- CAS
445405-32-3- PubChem CID
- 5174819
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 916
Physicochemical properties
- Boiling point
- 606.6 · 606.6±65.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- -2.8 · -2.80±0.70(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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