Basic information
- CAS
76918-79-1- Standard SMILES
CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21c2ccccc2C(=O)N1N- InChIKey
LQWZPFXZYAVDSS-UHFFFAOYSA-N- Molecular formula
- C24H24N4O2
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.18992602
Names & identifiers
- Preferred name
- 2-Amino-3',6'-bis(dimethylamino)spiro[isoindole-3,9'-xanthene]-1-one
- IUPAC
- 2-amino-3',6'-bis(dimethylamino)spiro[isoindole-3,9'-xanthene]-1-one
Names & synonyms
76918-79-1NSC 349459NSC3494592-amino-3',6'-bis(dimethylamino)spiro[isoindole-3,9'-xanthene]-1-oneDTXSID70319696NSC-3494592-Amino-3',6'-bis(dimethylamino)spiro[isoindole-1,9'-xanthen]-3(2H)-one
Database identifiers
- CAS
76918-79-1- PubChem CID
- 336191
- DTXSID
DTXSID70319696
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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