Basic information
- CAS
62367-83-3- Standard SMILES
O=C(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)CN1CCOCC1- InChIKey
GLNQARNTCYMVDJ-UHFFFAOYSA-N- Molecular formula
- C22H22N2O3
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.16304257
Names & identifiers
- Preferred name
- 1,3-Butanedione, 4-(4-morpholinyl)-1-(2-phenyl-1H-indol-3-yl)-
- IUPAC
- 4-morpholin-4-yl-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Names & synonyms
62367-83-31,3-Butanedione, 4-(4-morpholinyl)-1-(2-phenyl-1H-indol-3-yl)-DTXSID204873144-(MORPHOLIN-4-YL)-1-(2-PHENYL-1H-INDOL-3-YL)BUTANE-1,3-DIONE
Database identifiers
- CAS
62367-83-3- PubChem CID
- 12311908
- DTXSID
DTXSID20487314
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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