Basic information
- Standard SMILES
CC(C)CN1C(=Nc2ccc([N+](=O)[O-])c3c2CCCC3)SCC12CCCC2- InChIKey
BUPKGYNMNULMML-UHFFFAOYSA-N- Molecular formula
- C21H29N3O2S
- Average molar mass
- 387.5 g/mol
Names & identifiers
- Preferred name
- 1-Isobutyl-2-(4-nitro-5,6,7,8-tetrahydro-1-naphthylimino)-3-thia-1-azaspiro[4.4]nonane
- IUPAC
- 1-(2-methylpropyl)-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
Names & synonyms
SCHEMBL7118740SCHEMBL7118744BUPKGYNMNULMML-UHFFFAOYSA-N1-isobutyl-2-(4-nitro-5,6,7,8-tetrahydro-1-naphthylimino)-3-thia-1-azaspiro[4.4]nonane
Database identifiers
- PubChem CID
- 18316396
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 582
Related reactions
2 records
Compound notes
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