Basic information
- CAS
400843-36-9- Standard SMILES
Cn1cc(I)c(C(=O)N2CCCCCC2)n1- InChIKey
LKHTYHDSZKSQLM-UHFFFAOYSA-N- Molecular formula
- C11H16IN3O
- Average molar mass
- 333.17 g/mol
Names & identifiers
- Preferred name
- Azepan-1-yl-(4-iodo-1-methylpyrazol-3-yl)methanone
- IUPAC
- azepan-1-yl-(4-iodo-1-methylpyrazol-3-yl)methanone
- English name
- 1-[(4-iodo-1-methyl-1H-pyrazol-3-yl)carbonyl]azepane
- Molecular formula
- C11H16IN3O
- Molecular weight
- 333.16871
Names & synonyms
azepan-1-yl-(4-iodo-1-methylpyrazol-3-yl)methanone1-[(4-iodo-1-methyl-1H-pyrazol-3-yl)carbonyl]azepaneSTL393582AKOS003754354400843-36-9ST45142427AK-968/11738187azaperhydroepinyl 4-iodo-1-methylpyrazol-3-yl ketoneazepan-1-yl(4-iodo-1-methyl-1H-pyrazol-3-yl)methanone1-AZEPANYL(4-IODO-1-METHYL-1H-PYRAZOL-3-YL)METHANONE
Database identifiers
- CAS
400843-36-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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