2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5860 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 594.53 |
| Molecular Formula: | C29 H28 Br N3 O4 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9701 |
| logD: | 4.9697 |
| logSw: | -4.5838 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.682 |
| InChI Key: | JNUKSDQNRVLJKH-UHFFFAOYSA-N |