5-anilino-3-butyl-2H-indazole-4,7-dione
Basic information
- CAS
83578-17-0- Standard SMILES
CCCCc1[nH]nc2c1C(=O)C(Nc1ccccc1)=CC2=O- InChIKey
WQVILOGVGRBUPL-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.13207679
Names & identifiers
- Preferred name
- 5-anilino-3-butyl-2H-indazole-4,7-dione
- IUPAC
- 5-anilino-3-butyl-2H-indazole-4,7-dione
Names & synonyms
NSC28741583578-17-05-anilino-3-butyl-2H-indazole-4,7-dioneDTXSID70314681NSC-287415
Database identifiers
- CAS
83578-17-0- PubChem CID
- 323938
- DTXSID
DTXSID70314681
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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