Basic information
- CAS
312937-48-7- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)N(CC)c4ccccc43)c(=O)n2C1c1ccc(Cl)cc1- InChIKey
GOGSCQZGRREEMW-UHFFFAOYSA-N- Molecular formula
- C26H22ClN3O4S
- Average molar mass
- 508 g/mol
Names & identifiers
- Preferred name
- ethyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C26H22ClN3O4S
- Molecular weight
- 507.99
Names & synonyms
ChemDiv1_004180Oprea1_712055Oprea1_725761ethyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(4-chlorophenyl)-2-(1-ethyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-2,3-dihydro-7-methyl-3-oxo-, ethyl ester
Database identifiers
- CAS
312937-48-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Boiling point
- 593.9 · 593.9±60.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -2.18 · -2.18±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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