Thiazolidine, 3-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)-
Basic information
- CAS
161364-58-5- Standard SMILES
COc1ccccc1OCC1SCCN1C(=O)/C=C/c1ccc(O)c(O)c1- InChIKey
CBNIRCSLDOFYEF-VQHVLOKHSA-N- Molecular formula
- C20H21NO5S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.11404394
Names & identifiers
- Preferred name
- Thiazolidine, 3-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)-
- IUPAC
- (E)-3-(3,4-dihydroxyphenyl)-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one
Names & synonyms
Thiazolidine, 3-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)-161364-58-5RefChem:10998913-(3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)-2-((2-methoxyphenoxy)methyl)thiazolidineCHEMBL347089
Database identifiers
- CAS
161364-58-5- PubChem CID
- 6449022
- ChEMBL
CHEMBL347089
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…