Basic information
- Standard SMILES
CN1Cc2c(C#CI)ncn2-c2cccc(Cl)c2C1=O- InChIKey
GNSQLQBQHPPCKX-UHFFFAOYSA-N- Molecular formula
- C14H9ClIN3O
- Average molar mass
- 397.6 g/mol
Names & identifiers
- Preferred name
- 7-chloro-4,5-dihydro-3-(2-iodoethynyl)-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
- IUPAC
- 7-chloro-3-(2-iodoethynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL10568770GNSQLQBQHPPCKX-UHFFFAOYSA-N7-chloro-4,5-dihydro-3-(2-iodoethynyl)-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Database identifiers
- PubChem CID
- 19851516
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 474
Related reactions
1 records
Compound notes
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