Basic information
- CAS
55227-74-2- Standard SMILES
CCCCOc1cc(C(=O)N2CCN(C(=O)c3cc(OCCCC)n(-c4ccccc4)n3)CC2)nn1-c1ccccc1- InChIKey
PPRVESNVAOVNFM-UHFFFAOYSA-N- Molecular formula
- C32H38N6O4
- Average molar mass
- 570.7 g/mol
- Monoisotopic mass
- 570.29545371
Names & identifiers
- Preferred name
- (Piperazine-1,4-diyl)bis[(5-butoxy-1-phenyl-1H-pyrazol-3-yl)methanone]
- IUPAC
- [4-(5-butoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-(5-butoxy-1-phenylpyrazol-3-yl)methanone
Names & synonyms
55227-74-2CHEMBL3275696DTXSID50491126(Piperazine-1,4-diyl)bis[(5-butoxy-1-phenyl-1H-pyrazol-3-yl)methanone]
Database identifiers
- CAS
55227-74-2- PubChem CID
- 12334841
- DTXSID
DTXSID50491126- ChEMBL
CHEMBL3275696
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 775
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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