Basic information
- Standard SMILES
O=C1c2ccccc2-n2cnc(C=NO)c2[C@@H]2CCCN12- InChIKey
HLQJQGCABMXAKE-ZDUSSCGKSA-N- Molecular formula
- C15H14N4O2
- Average molar mass
- 282.3 g/mol
Names & identifiers
- Preferred name
- (S)-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde-1-oxime
- IUPAC
- (7S)-5-(hydroxyiminomethyl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
Names & synonyms
SCHEMBL7271229HLQJQGCABMXAKE-ZDUSSCGKSA-N(S)-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde-1-oxime
Database identifiers
- PubChem CID
- 86738267
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Related reactions
12 records
Linked notes
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