9H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro-
Basic information
- CAS
144109-22-8- Standard SMILES
O=C1CC2c3cccn3-c3ccccc3CN2C(=O)CN1- InChIKey
LXQFMYJYZUWLIF-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- 9H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro-
- IUPAC
- 6,14,17-triazatetracyclo[12.5.0.02,6.07,12]nonadeca-2,4,7,9,11-pentaene-15,18-dione
Names & synonyms
11,14-Dioxo-12,13,14,14a-tetrahydro-9H-(1,4)diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine144109-22-89H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro-RefChem:313348CHEMBL337763DTXSID6093223214-Hydroxy-15,15a-dihydro-9H-[1,4]diazepino[7,1-c]pyrrolo[1,2-a][1,4]benzodiazepin-11(12H)-one
Database identifiers
- CAS
144109-22-8- PubChem CID
- 3072801
- DTXSID
DTXSID60932232- ChEMBL
CHEMBL337763- Nikkaji
- J547.029C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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