2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
Chemical Structure Depiction of
2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
Compound characteristics
| Compound ID: | K783-5237 |
| Compound Name: | 2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid |
| Molecular Weight: | 331.78 |
| Molecular Formula: | C16 H10 Cl N O3 S |
| Smiles: | C(=C1/C(Nc2cc(ccc2S1)C(O)=O)=O)\c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4975 |
| logD: | 1.6117 |
| logSw: | -4.8247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.253 |
| InChI Key: | SZUYEXQJCCDZNU-UHFFFAOYSA-N |