Basic information
- CAS
107787-99-5- Standard SMILES
CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2cccc(Cl)c2)c1O- InChIKey
UHVHGUWULJTUBQ-AWNIVKPZSA-N- Molecular formula
- C19H17ClN2O3S
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.0648413
Names & identifiers
- Preferred name
- 2-Propenamide, 3-(3-(((3-chlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-2-cyano-
- IUPAC
- (E)-3-[3-[(3-chlorophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]-2-cyanoprop-2-enamide
Names & synonyms
2-Propenamide, 3-(3-(((3-chlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-2-cyano-107787-99-5RefChem:10644663-(3-(((3-Chlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-2-cyano-2-propenamide
Database identifiers
- CAS
107787-99-5- PubChem CID
- 6447925
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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