Basic information
- Standard SMILES
ClCc1c(I)nc2n1CCOc1ccc(Br)cc1-2- InChIKey
MTDBDAWJLVLJEG-UHFFFAOYSA-N- Molecular formula
- C12H9BrClIN2O
- Average molar mass
- 439.47 g/mol
Names & identifiers
- Preferred name
- 10-Bromo-3-(chloromethyl)-2-iodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
- IUPAC
- 10-bromo-3-(chloromethyl)-2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Names & synonyms
SCHEMBL15193287MTDBDAWJLVLJEG-UHFFFAOYSA-N10-bromo-3-(chloromethyl)-2-iodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
Database identifiers
- PubChem CID
- 86693293
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
1 records
Compound notes
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