2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone)
Basic information
- CAS
6312-47-6- Standard SMILES
O=C1C(Cl)=C(N2CCN(C3=C(Cl)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc21- InChIKey
LLEAFADFRDXABW-UHFFFAOYSA-N- Molecular formula
- C24H16Cl2N2O4
- Average molar mass
- 467.3 g/mol
- Monoisotopic mass
- 466.0487124
Names & identifiers
- Preferred name
- 2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone)
- IUPAC
- 2-chloro-3-[4-(3-chloro-1,4-dioxonaphthalen-2-yl)piperazin-1-yl]naphthalene-1,4-dione
Names & synonyms
2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone)6312-47-6NSC 40341DTXSID10212455RefChem:242334DTXCID10134946NSC40341CHEMBL1981644NCIMech_000086BDBM50548269CCG-35269NSC-40341
Show more names
NCI60_003801PD0116721, 2,2'-(1,4-piperazinediyl)bis[3-chloro-2,2'-(Piperazine-1,4-diyl)bis(3-chloronaphthalene-1,4-dione)2-chloro-3-[4-(3-chloro-1,4-dioxo-2-naphthyl)piperazin-1-yl]naphthalene-1,4-dione
Database identifiers
- CAS
6312-47-6- PubChem CID
- 237101
- DTXSID
DTXSID10212455- ChEMBL
CHEMBL1981644
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 872
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