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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC(Cn2ncc3c([N+](=O)[O-])cccc32)C1- InChIKey
DSLKEBSGOWIHAT-UHFFFAOYSA-N- Molecular formula
- C18H24N4O4
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-((4-nitro-1H-indazol-1-yl)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[(4-nitroindazol-1-yl)methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL15312796DSLKEBSGOWIHAT-UHFFFAOYSA-Ntert-butyl 3-((4-nitro-1H-indazol-1-yl)methyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86699345
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Related reactions
2 records
Compound notes
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