Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(C(=CC2CCCCCC2)C(=O)Nc2nccs2)cc1- InChIKey
BVPVGKONEFCGEO-UHFFFAOYSA-N- Molecular formula
- C20H24N2O3S2
- Average molar mass
- 404.6 g/mol
Names & identifiers
- Preferred name
- 3-cycloheptyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
- IUPAC
- 3-cycloheptyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
Names & synonyms
SCHEMBL2646202
Database identifiers
- PubChem CID
- 90727554
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 626
Related reactions
2 records
Compound notes
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