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Basic information
- Standard SMILES
Cc1cccc(C)c1NC(=O)CN1CCN(CCC2COc3ccccc3O2)CC1.Cl.Cl- InChIKey
LCTWBXPSLNDBKR-UHFFFAOYSA-N- Molecular formula
- C24H33Cl2N3O3
- Average molar mass
- 482.4 g/mol
- Monoisotopic mass
- 481.1898973
Names & identifiers
- Preferred name
- 1-[2-(1,4-Benzodioxan-2-yl)ethyl]-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine dihydrochloride salt
- IUPAC
- 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
Names & synonyms
SCHEMBL10991458LCTWBXPSLNDBKR-UHFFFAOYSA-N1-[2-(1,4-benzodioxan-2-yl)ethyl]-4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine dihydrochloride salt
Database identifiers
- PubChem CID
- 70487568
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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