Basic information
- CAS
7037-59-4- Standard SMILES
CCN(CC)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)C1c1ccc(OCc2ccccc2)cc1- InChIKey
WILBKSAMCSNTGS-UHFFFAOYSA-N- Molecular formula
- C33H36N2O6
- Average molar mass
- 556.6 g/mol
- Monoisotopic mass
- 556.25733687
Names & identifiers
- Preferred name
- 1-[3-(Diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
- IUPAC
- 1-[3-(diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Names & synonyms
7037-59-41-[3-(diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dioneDTXSID004066895-[4-(Benzyloxy)phenyl]-1-[3-(diethylamino)propyl]-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]pyrrolidine-2,3-dione
Database identifiers
- CAS
7037-59-4- PubChem CID
- 4872079
- DTXSID
DTXSID00406689
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 905
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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