Basic information
- Standard SMILES
COc1c(Cl)c(C)c(C(C)=O)c(OCCN2CCSCC2)c1OCCCc1ccccc1- InChIKey
JQRJTRBEMHMVHZ-UHFFFAOYSA-N- Molecular formula
- C25H32ClNO4S
- Average molar mass
- 478 g/mol
- Monoisotopic mass
- 477.1740574
Names & identifiers
- Preferred name
- 1-[3-Chloro-4-methoxy-2-methyl-5-(3-phenyl-propoxy)-6-(2-thiomorpholin-4-yl-ethoxy)-phenyl]-ethanone
- IUPAC
- 1-[3-chloro-4-methoxy-2-methyl-5-(3-phenylpropoxy)-6-(2-thiomorpholin-4-ylethoxy)phenyl]ethanone
Names & synonyms
SCHEMBL3392789JQRJTRBEMHMVHZ-UHFFFAOYSA-N1-[3-Chloro-4-methoxy-2-methyl-5-(3-phenyl-propoxy)-6-(2-thiomorpholin-4-yl-ethoxy)-phenyl]-ethanone
Database identifiers
- PubChem CID
- 25254375
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 556
Related reactions
2 records
Compound notes
Loading…