Ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Basic information
- CAS
79988-73-1- Standard SMILES
CCOC(=O)C1C(C)=CC2=Nc3ccccc3NC(=O)C2C1c1ccccc1- InChIKey
MTKBIORRXISFPY-UHFFFAOYSA-N- Molecular formula
- C23H22N2O3
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.16304257
Names & identifiers
- Preferred name
- Ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
- IUPAC
- ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Names & synonyms
79988-73-1NSC358736ethyl 9-methyl-6-oxo-7-phenyl-5,6a,7,8-tetrahydrobenzo[b][1,4]benzodiazepine-8-carboxylateDTXSID30320369NSC-358736Ethyl 3-methyl-11-oxo-1-phenyl-2,10,11,11a-tetrahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Database identifiers
- CAS
79988-73-1- PubChem CID
- 338035
- DTXSID
DTXSID30320369
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 677
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Compound notes
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