Basic information
- CAS
82635-56-1- Standard SMILES
COc1cc2[nH]c(=O)c3cccn3c(=O)c2cc1OC- InChIKey
AIGFADWONQJRLO-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- 2,3-dimethoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
- IUPAC
- 2,3-dimethoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Names & synonyms
82635-56-1NSC1779952,3-dimethoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dioneDTXSID60306636NSC-1779957,8-dimethoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione
Database identifiers
- CAS
82635-56-1- PubChem CID
- 301360
- DTXSID
DTXSID60306636
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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