2-[(3-chlorophenyl)methylidene]-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(3-chlorophenyl)methylidene]-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-7682 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 492 |
| Molecular Formula: | C25 H22 Cl N5 O2 S |
| Smiles: | CN1C(/C(=C\c2cccc(c2)[Cl])Sc2ccc(cc12)C(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0295 |
| logD: | 4.0295 |
| logSw: | -4.4123 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.378 |
| InChI Key: | WXAQIHCMBONXOJ-UHFFFAOYSA-N |