1,3-benzoxazol-2-yl 2-oxo-2-(2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydro-1(2H)-quinolinyl)ethyl sulfide
Completing data — refresh the page later to see the latest
Basic information
- CAS
332019-44-0- Standard SMILES
Cc1ccc(C2(C)CC(C)(C)N(C(=O)CSc3nc4ccccc4o3)c3ccccc32)cc1- InChIKey
SMGKXNBNNYANEB-UHFFFAOYSA-N- Molecular formula
- C28H28N2O2S
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.18714931
Names & identifiers
- Preferred name
- 1,3-benzoxazol-2-yl 2-oxo-2-(2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydro-1(2H)-quinolinyl)ethyl sulfide
- IUPAC
- 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanone
- English name
- 1,3-benzoxazol-2-yl 2-oxo-2-(2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydro-1(2H)-quinolinyl)ethyl sulfide
- Molecular formula
- C28H28N2O2S
- Molecular weight
- 456.6
Names & synonyms
1,3-benzoxazol-2-yl 2-oxo-2-(2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydro-1(2H)-quinolinyl)ethyl sulfide332019-44-0Oprea1_329442Oprea1_446093STK789464AKOS0056108442-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]ethanoneAK-968/121170712-(1,3-benzoxazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone2-(benzo[d]oxazol-2-ylthio)-1-(2,2,4-trimethyl-4-(p-tolyl)-3,4-dihydroquinolin-1(2H)-yl)ethanoneEthanone, 2-(2-benzoxazolylthio)-1-[3,4-dihydro-2,2,4-trimethyl-4-(4-methylphenyl)-1(2H)-quinolinyl]-
Database identifiers
- CAS
332019-44-0- PubChem CID
- 3119226
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Boiling point
- 629.5 · 629.5±65.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 0.84 · 0.84±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…