Basic information
- CAS
23712-07-4- Standard SMILES
O=C(CCCN1CCc2[nH]c3ccccc3c2CC1)c1ccc(F)cc1- InChIKey
VLOZTRJQZRGNFV-UHFFFAOYSA-N- Molecular formula
- C22H23FN2O
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.17944152
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-
- IUPAC
- 1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one
- English name
- 1-(4-Fluorophenyl)-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2H)-yl)-1-butanone
- Molecular formula
- C22H23FN2O
- Molecular weight
- 350.43
Names & synonyms
23712-07-4BRN 0963875U 259274'-Fluoro-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)butyrophenoneDTXSID001783791-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-BUTYROPHENONE, 4'-FLUORO-4-(1,4,5,6-TETRAHYDROAZEPINO(4,5-b)INDOL-3(2H)-YL)-1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2H)-yl)-RefChem:228851DTXCID801008701-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-(9CI)1-(4-Fluorophenyl)-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2H)-yl)-1-butanone
Show more names
U-25927
9WWJ439NBY1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)- (9CI)1-(4-Fluorophenyl)-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2H)-yl)butan-1-one4'-Fluoro-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3-(2H)-yl)butyrophenone
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…