3-Ethyl-5-[2-(1-ethyl-3,3-dimethyl-5-phenylindol-2-ylidene)ethylidene]-2-(4-phenoxyphenyl)imino-1,3-thiazolidin-4-one
Basic information
- CAS
300383-20-4- Standard SMILES
CCN1C(=O)C(=CC=C2N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=Nc1ccc(Oc2ccccc2)cc1- InChIKey
BJTAOLKREWHHNU-UHFFFAOYSA-N- Molecular formula
- C37H35N3O2S
- Average molar mass
- 585.8 g/mol
Names & identifiers
- Preferred name
- 3-Ethyl-5-[2-(1-ethyl-3,3-dimethyl-5-phenylindol-2-ylidene)ethylidene]-2-(4-phenoxyphenyl)imino-1,3-thiazolidin-4-one
- IUPAC
- 3-ethyl-5-[2-(1-ethyl-3,3-dimethyl-5-phenylindol-2-ylidene)ethylidene]-2-(4-phenoxyphenyl)imino-1,3-thiazolidin-4-one
- English name
- 3-ethyl-5-[2-(1-ethyl-3,3-dimethyl-5-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-[(4-phenoxyphenyl)imino]-1,3-thiazolidin-4-one
- Molecular formula
- C37H35N3O2S
- Molecular weight
- 585.76
Names & synonyms
3-ethyl-5-[2-(1-ethyl-3,3-dimethyl-5-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-[(4-phenoxyphenyl)imino]-1,3-thiazolidin-4-one
Database identifiers
- CAS
300383-20-4
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Boiling point
- 696.896 · 696.896±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.166 · 1.166±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.27 · 0.270±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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