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Basic information
- Standard SMILES
CCOC(=O)CN1C(=O)CNCc2ccccc21- InChIKey
MOEVSDURGSMFAA-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- (2-Oxo-2,3,4,5-tetrahydro-benzo[e][1,4]diazepin-1-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetate
Names & synonyms
SCHEMBL3425056MOEVSDURGSMFAA-UHFFFAOYSA-N(2-oxo-2,3,4,5-tetrahydro-benzo[e][1,4]diazepin-1-yl)-acetic acid ethyl ester(2-oxo-2,3,4,5-tetrahydrobenzo[e][1,4]diazepin-1-yl-)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 68637366
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
1 records
Compound notes
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