Basic information
- CAS
88324-52-1- Standard SMILES
C/C(=N/NC(=S)N1CC2CCC(CC2)C1)c1cnccn1- InChIKey
HCNCHPUSRLRNJS-WQRHYEAKSA-N- Molecular formula
- C15H21N5S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.15176686
Names & identifiers
- Preferred name
- N-[(Z)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
- IUPAC
- N-[(Z)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Names & synonyms
NSC339316MLS002701831NSC-339316CHEMBL1969496
Database identifiers
- CAS
88324-52-1- PubChem CID
- 5481306
- ChEMBL
CHEMBL1969496
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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