2-(2-Methanesulfonylamino-benzothiazole-6-yl)-propionic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)C(C)c1ccc2nc(NS(C)(=O)=O)sc2c1- InChIKey
WJUIFIJHLXBKGN-UHFFFAOYSA-N- Molecular formula
- C13H16N2O4S2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.05514934
Names & identifiers
- Preferred name
- 2-(2-Methanesulfonylamino-benzothiazole-6-yl)-propionic acid ethyl ester
- IUPAC
- ethyl 2-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]propanoate
Names & synonyms
SCHEMBL4148882WJUIFIJHLXBKGN-UHFFFAOYSA-N2-(2-Methanesulfonylamino-benzothiazole-6-yl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 57742149
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
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Related reactions
6 records
Compound notes
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