Basic information
- CAS
457960-34-8- Standard SMILES
COc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12- InChIKey
PDKNEGZLXKSZPH-UHFFFAOYSA-N- Molecular formula
- C17H21NO3S
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 1-((4-Methoxynaphthalen-1-yl)sulfonyl)azepane
- IUPAC
- 1-(4-methoxynaphthalen-1-yl)sulfonylazepane
- English name
- 4-(1-azepanylsulfonyl)-1-naphthyl methyl ether
- Molecular formula
- C17H21NO3S
- Molecular weight
- 319.42
Names & synonyms
1-((4-methoxynaphthalen-1-yl)sulfonyl)azepane457960-34-81-[(4-methoxynaphthalen-1-yl)sulfonyl]azepane1-(4-methoxynaphthalen-1-yl)sulfonylazepaneSR-01000316809starbld0006492Oprea1_006547Oprea1_390699MLS003875010AKOS002288379SMR002531804[(4-methoxynaphthyl)sulfonyl]azaperhydroepine
Show more names
1H-Azepine, hexahydro-1-[(4-methoxy-1-naphthalenyl)sulfonyl]-
ST508090504-(1-azepanylsulfonyl)-1-naphthyl methyl etherAG-690/15438159SR-01000316809-1SR-01000316809-2Z408144712
Database identifiers
- CAS
457960-34-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Boiling point
- 493 · 493.0±47.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- -5.2 · -5.20±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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