Basic information
- Standard SMILES
Cc1noc(C)c1S(=O)(=O)N1CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1- InChIKey
WQGIVODHKPNVKL-UHFFFAOYSA-N- Molecular formula
- C20H22F3N3O4S
- Average molar mass
- 457.5 g/mol
Names & identifiers
- Preferred name
- 8-(3,5-Dimethyl-isoxazole-4-sulfonyl)-2-(4-trifluoromethyl-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
8-(3,5-Dimethyl-isoxazole-4-sulfonyl)-2-(4-trifluoromethyl-phenyl)-2,8-diaza-spiro[4.5]decan-1-oneSCHEMBL746938
Database identifiers
- PubChem CID
- 59577920
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 784
Related reactions
2 records
Compound notes
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