2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5863 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 592.55 |
| Molecular Formula: | C30 H30 Br N3 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(/C(=C\c2ccc(c(c2)[Br])OC)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1273 |
| logD: | 6.1272 |
| logSw: | -5.4658 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.052 |
| InChI Key: | KYUXXYRZBQORIY-UHFFFAOYSA-N |