2-[2-(Diphenylphosphoryl)ethyl]-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
65273-63-4- Standard SMILES
O=C1c2ccccc2C(=O)N1CCP(=O)(c1ccccc1)c1ccccc1- InChIKey
MKIPXFVJTSSKGR-UHFFFAOYSA-N- Molecular formula
- C22H18NO3P
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.10243043
Names & identifiers
- Preferred name
- 2-[2-(Diphenylphosphoryl)ethyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(2-diphenylphosphorylethyl)isoindole-1,3-dione
Names & synonyms
65273-63-4NSC278472CHEMBL3245810DTXSID003139252-[2-(Diphenylphosphoryl)ethyl]-1H-isoindole-1,3(2H)-dioneNSC-278472
Database identifiers
- CAS
65273-63-4- PubChem CID
- 322229
- DTXSID
DTXSID00313925- ChEMBL
CHEMBL3245810
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
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Compound notes
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