Basic information
- Standard SMILES
Nc1cccc(/C=C/c2nc(C3CCCCCC3)cs2)c1- InChIKey
VYQIHDZXKSFREG-ZHACJKMWSA-N- Molecular formula
- C18H22N2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.15036988
Names & identifiers
- Preferred name
- (E)-3-[2-[4-(cycloheptyl)-2-thiazolyl]ethenyl]benzeneamine
- IUPAC
- 3-[(E)-2-(4-cycloheptyl-1,3-thiazol-2-yl)ethenyl]aniline
Names & synonyms
SCHEMBL9261541VYQIHDZXKSFREG-ZHACJKMWSA-N(E)-3-[2-[4-(cycloheptyl)-2-thiazolyl]ethenyl]benzeneamine
Database identifiers
- PubChem CID
- 20084328
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Related reactions
2 records
Compound notes
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