Ethyl 4,5,6,7-tetrahydro-2-[[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]amino]benzo[b]thiophene-3-carboxylate
Basic information
- CAS
321945-26-0- Standard SMILES
C=CCc1cccc(C=Nc2sc3c(c2C(=O)OCC)CCCC3)c1O- InChIKey
WENRTDWWAAZLDW-UHFFFAOYSA-N- Molecular formula
- C21H23NO3S
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.13986477
Names & identifiers
- Preferred name
- Ethyl 4,5,6,7-tetrahydro-2-[[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]amino]benzo[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
Oprea1_314350Oprea1_612955DTXSID701108220321945-26-0Ethyl 4,5,6,7-tetrahydro-2-[[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]amino]benzo[b]thiophene-3-carboxylateEU-0067761
Database identifiers
- CAS
321945-26-0- PubChem CID
- 4593263
- DTXSID
DTXSID701108220
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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