Basic information
- CAS
356080-67-6- Standard SMILES
O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCCO2- InChIKey
WKCAISIXWAIGKJ-UHFFFAOYSA-N- Molecular formula
- C26H23NO5
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.15762283
Names & identifiers
- Preferred name
- 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
- IUPAC
- 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
- English name
- 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C26H23NO5
- Molecular weight
- 429.46
Names & synonyms
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one3-[2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-OXOETHYL]-3-HYDROXY-1-(2-PHENYLETHYL)INDOL-2-ONEOprea1_629083CCG-22689STK035708AKOS001662538AKOS022003860ST50871945AK-778/413148213-(2-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-2-oxoethyl)-3-hydroxy-1-(2-phenylethy l)indolin-2-one356080-67-62H-Indol-2-one, 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,3-dihydro-3-hydroxy-1-(2-phenylethyl)-
Database identifiers
- CAS
356080-67-6- PubChem CID
- 2930323
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 692
Physicochemical properties
- Boiling point
- 722 · 722.0±60.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 11.05 · 11.05±0.20(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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