2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-3330 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide |
| Molecular Weight: | 545.56 |
| Molecular Formula: | C26 H29 Br N2 O2 S2 |
| Smiles: | C1CCC(CC1)SCCCNC(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.269 |
| logD: | 6.269 |
| logSw: | -5.7494 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.575 |
| InChI Key: | KBNCYMYDHMSQKP-UHFFFAOYSA-N |