Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCC(CC)(CC(=O)Nc1cccc(C=Cc2nc(C3CCCCC3)cs2)c1)C(=O)O- InChIKey
LHONMRNYMXIBLK-UHFFFAOYSA-N- Molecular formula
- C25H32N2O3S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.21336406
Names & identifiers
- Preferred name
- 4-[3-[2-(4-Cyclohexyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid
- IUPAC
- 4-[3-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid
Names & synonyms
SCHEMBL9796304
Database identifiers
- PubChem CID
- 54033909
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 628
Related reactions
1 records
Compound notes
Loading…