(2E)-2-[(3-bromophenyl)methylidene]-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
(2E)-2-[(3-bromophenyl)methylidene]-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
(2E)-2-[(3-bromophenyl)methylidene]-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-0145 |
| Compound Name: | (2E)-2-[(3-bromophenyl)methylidene]-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 485.44 |
| Molecular Formula: | C24 H25 Br N2 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6766 |
| logD: | 5.6766 |
| logSw: | -5.3835 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.3289 |
| InChI Key: | UVIYVSIRTACDIY-UHFFFAOYSA-N |