2-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Basic information
- CAS
6078-53-1- Standard SMILES
COc1ccc(OCC(O)CN2C(=O)c3ccccc3S2(=O)=O)cc1- InChIKey
GTGTWNMVIRAIAQ-UHFFFAOYSA-N- Molecular formula
- C17H17NO6S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.07765844
Names & identifiers
- Preferred name
- 2-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
- IUPAC
- 2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-one
Names & synonyms
6078-53-1SMR000105771MLS000109834ChemDiv3_014805Cambridge id 6078531Oprea1_269799Oprea1_307821MLS002540354CHEMBL1401595DTXSID20387264HMS1515A21HMS2307L20
Show more names
STL3571872-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-oneAKOS000569389AKOS022118339CCG-1064442-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trioneAB00102371-01SR-01000431832
Database identifiers
- CAS
6078-53-1- PubChem CID
- 2884971
- DTXSID
DTXSID20387264- ChEMBL
CHEMBL1401595
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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