Basic information
- Standard SMILES
COc1cccc2[nH]c3c(c12)CCN(CCCC(=O)c1ccc(F)cc1)CC3- InChIKey
GPSZBKVXYGMCLK-UHFFFAOYSA-N- Molecular formula
- C23H25FN2O2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.19000621
Names & identifiers
- Preferred name
- 1-(4-fluorophenyl)-4-(10-methoxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one
- IUPAC
- 1-(4-fluorophenyl)-4-(10-methoxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one
Names & synonyms
DTXSID8013841841-(4-fluorophenyl)-4-(10-methoxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one
Database identifiers
- PubChem CID
- 32130
- DTXSID
DTXSID801384184
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…