3-chloro-6-methoxy-N'-(phenylacetyl)-1-benzothiophene-2-carbohydrazide
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Basic information
- CAS
443734-85-8- Standard SMILES
COc1ccc2c(Cl)c(C(=O)NNC(=O)Cc3ccccc3)sc2c1- InChIKey
SSAITRWVTZASQK-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O3S
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.0491912
Names & identifiers
- Preferred name
- 3-chloro-6-methoxy-N'-(phenylacetyl)-1-benzothiophene-2-carbohydrazide
- IUPAC
- 3-chloro-6-methoxy-N'-(2-phenylacetyl)-1-benzothiophene-2-carbohydrazide
- English name
- 3-chloro-6-methoxy-N'-(phenylacetyl)-1-benzothiophene-2-carbohydrazide
- Molecular formula
- C18H15ClN2O3S
- Molecular weight
- 374.84
Names & synonyms
3-chloro-6-methoxy-N'-(phenylacetyl)-1-benzothiophene-2-carbohydrazideSTK0469883-chloro-6-methoxy-N'-(2-phenylacetyl)-1-benzothiophene-2-carbohydrazideAKOS000492445AN-329/41328551Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methoxy-, 2-(2-phenylacetyl)hydrazide
Database identifiers
- CAS
443734-85-8- PubChem CID
- 1013778
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Boiling point
- 659.8 · 659.8±55.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- 10.43 · 10.43±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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