Ethyl 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-hydroxypropanoate
Basic information
- Standard SMILES
CCOC(=O)C(O)Cc1ccc(OCCN2CCSc3ccccc32)cc1- InChIKey
IKCYLYMMVOWCGZ-UHFFFAOYSA-N- Molecular formula
- C21H25NO4S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.15042945
Names & identifiers
- Preferred name
- Ethyl 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-hydroxypropanoate
- IUPAC
- ethyl 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-hydroxypropanoate
Names & synonyms
SCHEMBL5113230IKCYLYMMVOWCGZ-UHFFFAOYSA-Nethyl 3-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-hydroxypropanoate
Database identifiers
- PubChem CID
- 9800403
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 455
Related reactions
4 records
Compound notes
Loading…