2,4-Bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione--hydrogen chloride (1/2)
Basic information
- CAS
104802-59-7- Standard SMILES
COc1ccc(C(=O)C(CC(C(=O)c2ccc(OC)cc2)N2CCCCCC2)N2CCCCCC2)cc1.Cl.Cl- InChIKey
XAWMRLWZNCTFAF-UHFFFAOYSA-N- Molecular formula
- C31H44Cl2N2O4
- Average molar mass
- 579.6 g/mol
- Monoisotopic mass
- 578.2678133
Names & identifiers
- Preferred name
- 2,4-Bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione--hydrogen chloride (1/2)
- IUPAC
- 2,4-bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
Names & synonyms
104802-59-7DTXSID309092192,4-Bis(azepan-1-yl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione--hydrogen chloride (1/2)RefChem:1059670DTXCID1013382852,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione dihydrochloride1,5-Pentanedione, 2,4-bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-methoxyphenyl)-, dihydrochloride
Database identifiers
- CAS
104802-59-7- PubChem CID
- 3064484
- DTXSID
DTXSID30909219
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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