Basic information
- Standard SMILES
CCOC(C)(C)C#Cc1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2- InChIKey
MHBONSYHDIQJKQ-UHFFFAOYSA-N- Molecular formula
- C19H20FN3O2
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 8-fluoro-3-(3-ethoxy-3-methyl-1-butynyl)-4,5-dihydro-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
- IUPAC
- 3-(3-ethoxy-3-methylbut-1-ynyl)-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL10575190MHBONSYHDIQJKQ-UHFFFAOYSA-N8-fluoro-3-(3-ethoxy-3-methyl-1-butynyl)-4,5-dihydro-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Database identifiers
- PubChem CID
- 19851603
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 582
Related reactions
2 records
Compound notes
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