Basic information
- Standard SMILES
Cc1c(N=C2SCC3(CCCC3)N2C2CCCC2)ccc([N+](=O)[O-])c1C- InChIKey
ZXIOHKLKWRDUKK-UHFFFAOYSA-N- Molecular formula
- C20H27N3O2S
- Average molar mass
- 373.5 g/mol
Names & identifiers
- Preferred name
- 2-(2,3-Dimethyl-4-nitrophenylimino)-1-cyclopentyl-3-thia-1-azaspiro[4.4]nonane
- IUPAC
- 1-cyclopentyl-N-(2,3-dimethyl-4-nitrophenyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
Names & synonyms
SCHEMBL7114091SCHEMBL7114092ZXIOHKLKWRDUKK-UHFFFAOYSA-N2-(2,3-dimethyl-4-nitrophenylimino)-1-cyclopentyl-3-thia-1-azaspiro[4.4]nonane
Database identifiers
- PubChem CID
- 10109907
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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