Basic information
- Standard SMILES
Oc1ccc(Cn2nc(-c3ccc(Cl)cc3)c3c2CCNCC3)cc1F- InChIKey
NIWHNGNRHRNLLP-UHFFFAOYSA-N- Molecular formula
- C20H19ClFN3O
- Average molar mass
- 371.8 g/mol
Names & identifiers
- Preferred name
- 4-[3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-1,2,6-triaza-azulen-1-ylmethyl]-2-fluoro-phenol
- IUPAC
- 4-[[3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepin-1-yl]methyl]-2-fluorophenol
Names & synonyms
SCHEMBL2077358NIWHNGNRHRNLLP-UHFFFAOYSA-N4-[3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-1,2,6-triaza-azulen-1-ylmethyl]-2-fluoro-phenol
Database identifiers
- PubChem CID
- 11749065
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Related reactions
4 records
Compound notes
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