1-(Azepan-1-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Basic information
- CAS
892062-29-2- Standard SMILES
CC(C)c1nnc(SCC(=O)N2CCCCCC2)o1- InChIKey
LCMAYQYIGISQJH-UHFFFAOYSA-N- Molecular formula
- C13H21N3O2S
- Average molar mass
- 283.39 g/mol
- Monoisotopic mass
- 283.13544809
Names & identifiers
- Preferred name
- 1-(Azepan-1-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
- IUPAC
- 1-(azepan-1-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Names & synonyms
1-(azepan-1-yl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoneDTXSID20409637892062-29-21-(Azepan-1-yl)-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Database identifiers
- CAS
892062-29-2- PubChem CID
- 5202830
- DTXSID
DTXSID20409637
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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