Basic information
- Standard SMILES
CCOC(=O)c1ncn2c1CN(Cc1ccc(OC)cc1OC)C(=O)c1cc(OC)ccc1-2- InChIKey
NCJFITZMCOZJJG-UHFFFAOYSA-N- Molecular formula
- C24H25N3O6
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.17433553
Names & identifiers
- Preferred name
- 5-(2,4-Dimethoxy-benzyl)-8-methoxy-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic Acid Ethyl Ester
- IUPAC
- ethyl 5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Names & synonyms
SCHEMBL6862399NCJFITZMCOZJJG-UHFFFAOYSA-N5-(2,4-Dimethoxy-benzyl)-8-methoxy-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 69920488
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 693
Related reactions
3 records
Compound notes
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