Basic information
- Standard SMILES
Clc1ccc2c(c1)N(Cc1ccc(Br)nc1)Cc1ccccc1O2- InChIKey
PLHNJYCUBJYFHF-UHFFFAOYSA-N- Molecular formula
- C19H14BrClN2O
- Average molar mass
- 401.7 g/mol
Names & identifiers
- Preferred name
- 10-[(2-Bromo-5-pyridinyl)methyl]-8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepine
- IUPAC
- 5-[(6-bromo-3-pyridinyl)methyl]-3-chloro-6H-benzo[b][1,4]benzoxazepine
Names & synonyms
SCHEMBL9172681PLHNJYCUBJYFHF-UHFFFAOYSA-N10-[(2-bromo-5-pyridinyl)methyl]-8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepine
Database identifiers
- PubChem CID
- 15780685
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
Related reactions
1 records
Compound notes
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