1-(11-Acetyl-2,10-dimethyl-3-oxa-7-thia-1-azatricyclo[6.3.0.02,6]undecan-9-yl)ethanone
Basic information
- CAS
79265-49-9- Standard SMILES
CC(=O)C1C(C)C(C(C)=O)N2C1SC1CCOC12C- InChIKey
JLZHCLWYZGABDF-UHFFFAOYSA-N- Molecular formula
- C14H21NO3S
- Average molar mass
- 283.39 g/mol
- Monoisotopic mass
- 283.12421471
Names & identifiers
- Preferred name
- 1-(11-Acetyl-2,10-dimethyl-3-oxa-7-thia-1-azatricyclo[6.3.0.02,6]undecan-9-yl)ethanone
- IUPAC
- 1-(11-acetyl-2,10-dimethyl-3-oxa-7-thia-1-azatricyclo[6.3.0.02,6]undecan-9-yl)ethanone
Names & synonyms
NSC35117079265-49-9DTXSID80319829NSC-3511701,1'-(6,8a-Dimethyloctahydrofuro[2,3-d]pyrrolo[2,1-b][1,3]thiazole-5,7-diyl)di(ethan-1-one)
Database identifiers
- CAS
79265-49-9- PubChem CID
- 336510
- DTXSID
DTXSID80319829
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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