1-Ethyl-3,3,5-trimethyl-7-{3-[2-(1-oxo-1H-isoquinolin-2-yl)ethylamino]propyl}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
Basic information
- Standard SMILES
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(CCCNCCn3ccc4ccccc4c3=O)ccc21- InChIKey
OGVPQEINAMQUTC-UHFFFAOYSA-N- Molecular formula
- C28H34N4O3
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-3,3,5-trimethyl-7-{3-[2-(1-oxo-1H-isoquinolin-2-yl)ethylamino]propyl}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
- IUPAC
- 1-ethyl-3,3,5-trimethyl-7-[3-[2-(1-oxoisoquinolin-2-yl)ethylamino]propyl]-1,5-benzodiazepine-2,4-dione
Names & synonyms
SCHEMBL12080879OGVPQEINAMQUTC-UHFFFAOYSA-N1-Ethyl-3,3,5-trimethyl-7-{3-[2-(1-oxo-1H-isoquinolin-2-yl)ethylamino]propyl}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione
Database identifiers
- PubChem CID
- 70656972
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 825
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Related reactions
2 records
Compound notes
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