Basic information
- Standard SMILES
Cl.Cl.O.O=C(CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1- InChIKey
NBXSJULZYXPGKC-UHFFFAOYSA-N- Molecular formula
- C25H34Cl4N4O3
- Average molar mass
- 580.4 g/mol
Names & identifiers
- Preferred name
- 1,3-Bis[4-(4-chlorobenzyl)-1-piperazinyl]-1,3-dioxopropane dihydrochloride monohydrate
- IUPAC
- 1,3-bis[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propane-1,3-dione;hydrate;dihydrochloride
Names & synonyms
SCHEMBL10502730NBXSJULZYXPGKC-UHFFFAOYSA-N1,3-bis[4-(4 -chlorobenzyl)-1-piperazinyl]-1,3-dioxopropane dihydrochloride monohydrate
Database identifiers
- PubChem CID
- 20152227
Properties
Computed structural properties
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 580
Related reactions
1 records
Compound notes
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