Basic information
- Standard SMILES
O=Cc1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2- InChIKey
WXLGIHYJOYXODV-ZDUSSCGKSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 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
- IUPAC
- (7S)-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carbaldehyde
Names & synonyms
SCHEMBL7270903WXLGIHYJOYXODV-ZDUSSCGKSA-N(S)-11,12,13,13a -tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde(S)-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxaldehyde
Database identifiers
- PubChem CID
- 22822210
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
19 records
Linked notes
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