Basic information
- Standard SMILES
CCOC(=O)c1cc2ccc(CC(=O)NNC(=O)c3ccc(OC)cc3)cc2s1- InChIKey
ZZSNHIIRHUQEQI-UHFFFAOYSA-N- Molecular formula
- C21H20N2O5S
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-{2-[2-(4-methoxybenzoyl)hydrazino]-2-oxoethyl}-1-benzothiophene-2-carboxylate
- IUPAC
- ethyl 6-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxylate
Names & synonyms
SCHEMBL3503276ZZSNHIIRHUQEQI-UHFFFAOYSA-NEthyl 6-{2-[2-(4-methoxybenzoyl)hydrazino]-2-oxoethyl}-1-benzothiophene-2-carboxylate
Database identifiers
- PubChem CID
- 59424237
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Related reactions
5 records
Compound notes
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