Basic information
- CAS
312316-73-7- Standard SMILES
COc1ccc(C=c2sc3n(c2=O)C(c2ccc(N(C)C)cc2)C(C(C)=O)=C(C)N=3)c(OC)c1- InChIKey
UVOMCGOFZSQXSW-UHFFFAOYSA-N- Molecular formula
- C26H27N3O4S
- Average molar mass
- 477.6 g/mol
Names & identifiers
- Preferred name
- 6-acetyl-2-[(2,4-dimethoxyphenyl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
- IUPAC
- 6-acetyl-2-[(2,4-dimethoxyphenyl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
- English name
- 6-acetyl-2-(2,4-dimethoxybenzylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
- Molecular formula
- C26H27N3O4S
- Molecular weight
- 477.58
Names & synonyms
6-acetyl-2-(2,4-dimethoxybenzylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one5H-Thiazolo[3,2-a]pyrimidin-3(2H)-one, 6-acetyl-2-[(2,4-dimethoxyphenyl)methylene]-5-[4-(dimethylamino)phenyl]-7-methyl-
Database identifiers
- CAS
312316-73-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 904
Physicochemical properties
- Boiling point
- 659.8 · 659.8±65.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 4.57 · 4.57±0.24(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…