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Basic information
- Standard SMILES
COC(=O)c1nc(C)n2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2- InChIKey
SCLUWVLSTPQIKK-UHFFFAOYSA-N- Molecular formula
- C20H16ClN3O2
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.0931045
Names & identifiers
- Preferred name
- methyl 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
- IUPAC
- methyl 8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Names & synonyms
SCHEMBL7308179
Database identifiers
- PubChem CID
- 12802012
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 563
Related reactions
4 records
Compound notes
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