N-[(E)-(1-amino-2-pyridin-2-ylsulfanylethylidene)amino]-4-chlorobenzamide
Basic information
- CAS
338418-72-7- Standard SMILES
N/C(CSc1ccccn1)=N/NC(=O)c1ccc(Cl)cc1- InChIKey
JTRXASZNVZYXGH-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4OS
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.0498599
Names & identifiers
- Preferred name
- N-[(E)-(1-amino-2-pyridin-2-ylsulfanylethylidene)amino]-4-chlorobenzamide
- IUPAC
- N-[(E)-(1-amino-2-pyridin-2-ylsulfanylethylidene)amino]-4-chlorobenzamide
Database identifiers
- CAS
338418-72-7- PubChem CID
- 5920187
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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