1-{4-[4-(2,6-Di-tert-butylpyrimidin-4-yl)piperazin-1-yl]butyl}-3,4-dihydro-1H-1-benzazepine-2,5-dione hydrochloride
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Basic information
- Standard SMILES
CC(C)(C)c1cc(N2CCN(CCCCN3C(=O)CCC(=O)c4ccccc43)CC2)nc(C(C)(C)C)n1.Cl- InChIKey
UKIUDYUFYFLWKE-UHFFFAOYSA-N- Molecular formula
- C30H44ClN5O2
- Average molar mass
- 542.2 g/mol
Names & identifiers
- Preferred name
- 1-{4-[4-(2,6-Di-tert-butylpyrimidin-4-yl)piperazin-1-yl]butyl}-3,4-dihydro-1H-1-benzazepine-2,5-dione hydrochloride
- IUPAC
- 1-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione;hydrochloride
Names & synonyms
SCHEMBL3290122UKIUDYUFYFLWKE-UHFFFAOYSA-N1-{4-[4-(2,6-Di-tert-butylpyrimidin-4-yl)piperazin-1-yl]butyl}-3,4-dihydro-1H-1-benzazepine-2,5-dione hydrochloride
Database identifiers
- PubChem CID
- 68583151
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 780
Related reactions
1 records
Compound notes
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