Basic information
- CAS
2056-63-5- Standard SMILES
CCCCC1C(=O)N2C=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O- InChIKey
HFNBXRDMNVKOPJ-UHFFFAOYSA-N- Molecular formula
- C21H19ClN2O2
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.1135055
Names & identifiers
- Preferred name
- 2-Butyl-8-chloro-6-phenyl-1h-pyrazolo[1,2-a]cinnoline-1,3(2h)-dione
- IUPAC
- 2-butyl-8-chloro-6-phenylpyrazolo[1,2-a]cinnoline-1,3-dione
Names & synonyms
2056-63-52-butyl-8-chloro-6-phenyl-1h-pyrazolo[1,2-a]cinnoline-1,3(2h)-dioneNSC125183DTXSID20298664NSC-125183
Database identifiers
- CAS
2056-63-5- PubChem CID
- 276754
- DTXSID
DTXSID20298664
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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