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Basic information
- Standard SMILES
CCOC(=O)N1CCN=C(N)C(N2C(=O)c3ccccc3C2=O)C1- InChIKey
XDJCLWDEQYEWJM-UHFFFAOYSA-N- Molecular formula
- C16H18N4O4
- Average molar mass
- 330.34 g/mol
- Monoisotopic mass
- 330.13280507
Names & identifiers
- Preferred name
- Ethyl 7-amino-6-(1,3-dioxoisoindol-2-yl)-2,3,5,6-tetrahydro-1,4-diazepine-4-carboxylate
- IUPAC
- ethyl 7-amino-6-(1,3-dioxoisoindol-2-yl)-2,3,5,6-tetrahydro-1,4-diazepine-4-carboxylate
Names & synonyms
SCHEMBL3663949
Database identifiers
- PubChem CID
- 68735239
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
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