Basic information
- Standard SMILES
C#Cc1ncn2c1CN(C)C(=O)c1c(Cl)cccc1-2- InChIKey
IOFWDXJBVONBLF-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O
- Average molar mass
- 271.7 g/mol
Names & identifiers
- Preferred name
- 7-chloro-3-ethynyl-4,5-dihydro-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
- IUPAC
- 7-chloro-3-ethynyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL10571474IOFWDXJBVONBLF-UHFFFAOYSA-N7-chloro-3-ethynyl-4,5-dihydro-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Database identifiers
- PubChem CID
- 19851533
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
Related reactions
8 records
Compound notes
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