2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(dibutylamino)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(dibutylamino)ethyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(dibutylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-3338 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(dibutylamino)ethyl]acetamide |
| Molecular Weight: | 544.55 |
| Molecular Formula: | C27 H34 Br N3 O2 S |
| Smiles: | CCCCN(CCCC)CCNC(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.273 |
| logD: | 4.6964 |
| logSw: | -5.2824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.572 |
| InChI Key: | QCLMDBILUFZNNQ-UHFFFAOYSA-N |