7-bromo-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
Basic information
- Standard SMILES
Fc1ccccc1C1NCCNc2ccc(Br)cc21- InChIKey
MABDATAFOSHXOP-UHFFFAOYSA-N- Molecular formula
- C15H14BrFN2
- Average molar mass
- 321.19 g/mol
Names & identifiers
- Preferred name
- 7-bromo-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
- IUPAC
- 7-bromo-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
Names & synonyms
SCHEMBL1198667MABDATAFOSHXOP-UHFFFAOYSA-N7-bromo-5-(2-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
Database identifiers
- PubChem CID
- 57732423
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
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Related reactions
4 records
Compound notes
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