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

HCID 69920488

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

Related reactions

3 records

Compound notes

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