Basic information
- Standard SMILES
Cn1c2c(c3ccccc31)CCN(CCCC(=O)c1ccc(F)cc1)CC2- InChIKey
COBOQMFLVSGTKZ-UHFFFAOYSA-N- Molecular formula
- C23H25FN2O
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.19509159
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-(6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)butan-1-one
- IUPAC
- 1-(4-fluorophenyl)-4-(6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)butan-1-one
Names & synonyms
1-(4-fluorophenyl)-4-(6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)butan-1-oneDTXSID101384183
Database identifiers
- PubChem CID
- 32128
- DTXSID
DTXSID101384183
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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