Basic information
- Standard SMILES
O=C(CCCN1CCC2c3cccc4c3N(CCO4)C2CC1)c1ccc(F)cc1- InChIKey
XCUDOUJECKZVAJ-UHFFFAOYSA-N- Molecular formula
- C24H27FN2O2
- Average molar mass
- 394.5 g/mol
Names & identifiers
- Preferred name
- 4-(1,2,6b,7,8,10,11,11a-octahydro-9H-azepino[4,5-b][1,4]oxazino[2,3,4-hi]indol-9-yl)-1-(4-fluorophenyl)-1-butanone
- IUPAC
- 1-(4-fluorophenyl)-4-(14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-5-yl)butan-1-one
Names & synonyms
SCHEMBL5636964XCUDOUJECKZVAJ-UHFFFAOYSA-N4-(1,2,6b,7,8,10,11,11a-octahydro-9H-azepino[4,5-b][1,4]oxazino[2,3,4-hi]indol-9-yl)-1-(4-fluorophenyl)-1-butanone
Database identifiers
- PubChem CID
- 22735447
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 579
Related reactions
3 records
Compound notes
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