Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CN(Cc2ccc(C(N)=NO)c(Cl)c2)C1- InChIKey
QECCZIWAYSTTND-UHFFFAOYSA-N- Molecular formula
- C16H22ClN3O3
- Average molar mass
- 339.82 g/mol
Names & identifiers
- Preferred name
- tert-butyl 1-(3-chloro-4-(N'-hydroxycarbamimidoyl)benzyl)azetidine-3-carboxylate
- IUPAC
- tert-butyl 1-[[3-chloro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]azetidine-3-carboxylate
Names & synonyms
SCHEMBL2570015QECCZIWAYSTTND-UHFFFAOYSA-Ntert-butyl 1-(3-chloro-4-(N'-hydroxycarbamimidoyl)benzyl)azetidine-3-carboxylate
Database identifiers
- PubChem CID
- 76816489
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 458
Related reactions
3 records
Compound notes
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