2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | K788-5811 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 651.62 |
| Molecular Formula: | C32 H35 Br N4 O4 S |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(CN2C(/C(=C\c3ccc(c(c3)[Br])OC)Sc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8546 |
| logD: | 4.2684 |
| logSw: | -4.475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.8 |
| InChI Key: | YKRXGHQPEBZQBL-UHFFFAOYSA-N |