2-(4-fluorophenyl)-4-(4-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
Basic information
- CAS
5969-58-4- Standard SMILES
COc1ccc(C2=Nc3ccccc3NC(c3ccc(F)cc3)C2)cc1- InChIKey
NOUCOUVYMVAQCT-UHFFFAOYSA-N- Molecular formula
- C22H19FN2O
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.1481414
Names & identifiers
- Preferred name
- 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
- IUPAC
- 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
Names & synonyms
5969-58-42-(4-fluorophenyl)-4-(4-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepineAC1MEIW9CBMicro_039448Oprea1_583941Oprea1_593263DTXSID30387038BIM-0039482.P001
Database identifiers
- CAS
5969-58-4- PubChem CID
- 2879059
- DTXSID
DTXSID30387038
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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