Basic information
- Standard SMILES
CC(C)(C)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1- InChIKey
KAOSIMLDPJKOSL-UHFFFAOYSA-N- Molecular formula
- C14H20N2O4S
- Average molar mass
- 312.39 g/mol
Names & identifiers
- Preferred name
- 5-[4-(3,3-Dimethylbutyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
- IUPAC
- 5-[4-(3,3-dimethylbutyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Names & synonyms
SCHEMBL4119227KAOSIMLDPJKOSL-UHFFFAOYSA-N5-[4-(3,3-dimethylbutyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Database identifiers
- PubChem CID
- 57777396
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 492
Related reactions
1 records
Linked notes
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