(2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
Chemical Structure Depiction of
(2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
(2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
Compound characteristics
Compound ID: | Y041-4794 |
Compound Name: | (2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid |
Molecular Weight: | 251.3 |
Molecular Formula: | C12 H13 N O3 S |
Smiles: | CC(C)[C@@H](C(O)=O)N1C(c2ccccc2S1)=O |
Stereo: | ABSOLUTE |
logP: | 2.0308 |
logD: | -2.007 |
logSw: | -2.4109 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.828 |
InChI Key: | WWXBUKVYEVDASM-JTQLQIEISA-N |