8-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid-(3-fluoro-4-methanesulphonylaminophenyl)amide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)C1CCC2(CC1)CC(C(=O)Nc1ccc(NS(C)(=O)=O)c(F)c1)=NO2- InChIKey
YEMFBPJXUWNDFX-UHFFFAOYSA-N- Molecular formula
- C20H28FN3O4S
- Average molar mass
- 425.5 g/mol
Names & identifiers
- Preferred name
- 8-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid-(3-fluoro-4-methanesulphonylaminophenyl)amide
- IUPAC
- 8-tert-butyl-N-[3-fluoro-4-(methanesulfonamido)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
Names & synonyms
SCHEMBL2206230YEMFBPJXUWNDFX-UHFFFAOYSA-N8-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid-(3-fluoro-4-methanesulphonylaminophenyl)amide
Database identifiers
- PubChem CID
- 67316619
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 749
Related reactions
2 records
Compound notes
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