[6-(6-Morpholin-4-yl-4-oxo-4h-pyran-2-yl)-thianthren-2-yloxy]-acetic acid methyl ester
Basic information
- Standard SMILES
COC(=O)COc1ccc2c(c1)Sc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2- InChIKey
SFDYJXJMTPDQFQ-UHFFFAOYSA-N- Molecular formula
- C24H21NO6S2
- Average molar mass
- 483.6 g/mol
Names & identifiers
- Preferred name
- [6-(6-Morpholin-4-yl-4-oxo-4h-pyran-2-yl)-thianthren-2-yloxy]-acetic acid methyl ester
- IUPAC
- methyl 2-[6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthren-2-yl]oxyacetate
Names & synonyms
SCHEMBL3166416SFDYJXJMTPDQFQ-UHFFFAOYSA-N[6-(6-morpholin-4-yl-4-oxo-4h-pyran-2-yl)-thianthren-2-yloxy]-acetic acid methyl ester
Database identifiers
- PubChem CID
- 87487889
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 811
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…