4-methyl-2-[(3-methylphenyl)methylidene]-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-methyl-2-[(3-methylphenyl)methylidene]-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
4-methyl-2-[(3-methylphenyl)methylidene]-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-7396 |
| Compound Name: | 4-methyl-2-[(3-methylphenyl)methylidene]-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1cccc(\C=C2/C(N(C)c3cc(ccc3S2)C(N2CCN(CC2)c2ncccn2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9647 |
| logD: | 3.9646 |
| logSw: | -4.0671 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.378 |
| InChI Key: | VMJQRJZOVCNWER-UHFFFAOYSA-N |