ethyl 2-[4-[[7-methyl-3-oxo-6-(phenylcarbamoyl)-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetate
Basic information
- CAS
496769-71-2- Standard SMILES
CCOC(=O)COc1ccc(C=c2sc3n(c2=O)C(c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1- InChIKey
IZVDMOAHXRITKV-UHFFFAOYSA-N- Molecular formula
- C29H25N3O5S2
- Average molar mass
- 559.7 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[4-[[7-methyl-3-oxo-6-(phenylcarbamoyl)-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetate
- IUPAC
- ethyl 2-[4-[[7-methyl-3-oxo-6-(phenylcarbamoyl)-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetate
- English name
- ethyl {4-[(6-(anilinocarbonyl)-7-methyl-3-oxo-5-(2-thienyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetate
- Molecular formula
- C29H25N3O5S2
- Molecular weight
- 559.66
Names & synonyms
ethyl {4-[(6-(anilinocarbonyl)-7-methyl-3-oxo-5-(2-thienyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetate
Database identifiers
- CAS
496769-71-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- Density
- 1.37 · 1.370±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.726 · 13.726±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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