Basic information
- CAS
76325-81-0- Standard SMILES
O=C(CC1(O)C(=O)Nc2ccccc21)CC1(O)C(=O)Nc2ccccc21- InChIKey
ROCVBZTWTGXHKR-UHFFFAOYSA-N- Molecular formula
- C19H16N2O5
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.10592162
Names & identifiers
- Preferred name
- 3,3'-(2-Oxopropane-1,3-diyl)bis(3-hydroxy-1,3-dihydro-2H-indol-2-one)
- IUPAC
- 3-hydroxy-3-[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxopropyl]-1H-indol-2-one
- English name
- 3-hydroxy-3-[3-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-oxopropyl]-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C19H16N2O5
- Molecular weight
- 352.34
Names & synonyms
76325-81-03,3'-(2-oxopropane-1,3-diyl)bis(3-hydroxy-1,3-dihydro-2H-indol-2-one)DTXSID50305936RefChem:269841DTXCID30257065CHEMBL4753538NSC172777ChemDiv3_0019643-hydroxy-3-[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxopropyl]-1H-indol-2-oneOprea1_082598Oprea1_666520HMS1478J06
Show more names
2H-Indol-2-one, 3,3'-(2-oxo-1,3-propanediyl)bis[1,3-dihydro-3-hydroxy-3-hydroxy-3-[3-(3-hydroxy-2-oxo-indolin-3-yl)-2-oxo-propyl]indolin-2-one3-hydroxy-3-[3-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-2-oxopropyl]-1,3-dihydro-2H-indol-2-one
BDBM50559037STK215770AKOS000512613AKOS021994064CCG-108369NSC-172777IDI1_020930DS-004881
Database identifiers
- CAS
76325-81-0- PubChem CID
- 299561
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- Melting point
- 225 · 225-227 °C(Solv: ethanol (64-17-5))
- Boiling point
- 730.8 · 730.8±60.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- pka
- 11.17 · 11.17±0.20(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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