2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-cyclooctylacetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-cyclooctylacetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-cyclooctylacetamide
Compound characteristics
| Compound ID: | C312-0101 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-cyclooctylacetamide |
| Molecular Weight: | 499.47 |
| Molecular Formula: | C25 H27 Br N2 O2 S |
| Smiles: | C1CCCC(CCC1)NC(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6238 |
| logD: | 6.6238 |
| logSw: | -5.9783 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.597 |
| InChI Key: | IFMZQOAULRTJSK-UHFFFAOYSA-N |