5-Anilino-2-benzyl-3-methyl-2H-indazole-4,7-dione
Basic information
- CAS
53486-05-8- Standard SMILES
Cc1c2c(nn1Cc1ccccc1)C(=O)C=C(Nc1ccccc1)C2=O- InChIKey
FROISHGBLQZTQF-UHFFFAOYSA-N- Molecular formula
- C21H17N3O2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.13207679
Names & identifiers
- Preferred name
- 5-Anilino-2-benzyl-3-methyl-2H-indazole-4,7-dione
- IUPAC
- 5-anilino-2-benzyl-3-methylindazole-4,7-dione
Names & synonyms
53486-05-8NSC1704015-Anilino-2-benzyl-3-methyl-2H-indazole-4,7-dioneDTXSID10305356NSC-170401
Database identifiers
- CAS
53486-05-8- PubChem CID
- 298375
- DTXSID
DTXSID10305356
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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