Basic information
- Standard SMILES
O=C(O)C(F)(F)F.O=C(c1csc(C(F)(F)F)n1)N1CCOC2(CCNCC2)C1- InChIKey
SJPCNPAMKDVBJM-UHFFFAOYSA-N- Molecular formula
- C15H17F6N3O4S
- Average molar mass
- 449.4 g/mol
Names & identifiers
- Preferred name
- 1-Oxa-4,9-diazaspiro[5,5]undecan-4-yl(2-(trifluoromethyl)thiazol-4-yl)methanone trifluoroacetate
- IUPAC
- 1-oxa-4,9-diazaspiro[5.5]undecan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone;2,2,2-trifluoroacetic acid
Names & synonyms
1-Oxa-4,9-diazaspiro[5,5]undecan-4-yl(2-(trifluoromethyl)thiazol-4-yl)methanone trifluoroacetateSCHEMBL21428761-Oxa-4,9-diazaspiro[5.5]undecan-4-yl(2-(trifluoromethyl)thiazol-4-yl)methanone trifluoroacetate
Database identifiers
- PubChem CID
- 86636751
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 513
Related reactions
4 records
Compound notes
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