4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5815 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 578.53 |
| Molecular Formula: | C29 H28 Br N3 O3 S |
| Smiles: | COc1ccc(\C=C2/C(N(CC(N3CCN(CC3)Cc3ccccc3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6504 |
| logD: | 4.635 |
| logSw: | -4.3929 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.633 |
| InChI Key: | IUSSHSHRGZTCKW-UHFFFAOYSA-N |