Ethyl 3-(4-cyano-3-(trifluoromethyl)-phenyl)-2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-1-butanoate
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Basic information
- Standard SMILES
CCOC(=O)CCCN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C12CCOCC2- InChIKey
HAHOSFZFEUHGDK-UHFFFAOYSA-N- Molecular formula
- C21H22F3N3O5
- Average molar mass
- 453.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-cyano-3-(trifluoromethyl)-phenyl)-2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-1-butanoate
- IUPAC
- ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]butanoate
Names & synonyms
Ethyl 3-(4-cyano-3-(trifluoromethyl)-phenyl)-2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-1-butanoateSCHEMBL8926413
Database identifiers
- PubChem CID
- 15345501
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 787
Related reactions
4 records
Compound notes
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