methyl 4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzoate
methyl 4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | K783-5226 |
| Compound Name: | methyl 4-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)methyl]benzoate |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C17 H13 N O3 S |
| Smiles: | COC(c1ccc(/C=C2/C(Nc3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6384 |
| logD: | 3.6384 |
| logSw: | -4.059 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.018 |
| InChI Key: | CZBKZZMQYVFYPA-UHFFFAOYSA-N |