Basic information
- CAS
24441-77-8- Standard SMILES
COc1cccc2c1c1c(n2C)CCN(CCCC(=O)c2ccc(F)cc2)CC1- InChIKey
JYMLYFYFQOJKFX-UHFFFAOYSA-N- Molecular formula
- C24H27FN2O2
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.20565627
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(10-methoxy-6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-
- IUPAC
- 1-(4-fluorophenyl)-4-(10-methoxy-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)butan-1-one
- English name
- 4'-Fluoro-γ-[1,4,5,6-tetrahydro-10-methoxy-6-methylazepino[4,5-b]indol-3(2H)-yl]butyrophenone
- Molecular formula
- C24H27FN2O2
- Molecular weight
- 394.48
Names & synonyms
BRN 071185324441-77-8Butyrophenone, 4'-fluoro-4-(10-methoxy-6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-DTXSID601792014'-Fluoro-4-(10-methoxy-6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)butyrophenoneRefChem:331403DTXCID501016921-(4-fluorophenyl)-4-(10-methoxy-6-methyl-1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2H)-yl)butan-1-one4'-Fluoro-γ-[1,4,5,6-tetrahydro-10-methoxy-6-methylazepino[4,5-b]indol-3(2H)-yl]butyrophenone1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydro-10-methoxy-6-methylazepino[4,5-b]indol-3(2H)-yl)-
Database identifiers
- CAS
24441-77-8- PubChem CID
- 32380
- DTXSID
DTXSID60179201- Nikkaji
- J42.937F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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