2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-4865 |
| Compound Name: | 2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 443.53 |
| Molecular Formula: | C24 H21 N5 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(\C=C2/C(Nc3ccccc3S2)=O)cc1)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.2597 |
| logD: | 3.2597 |
| logSw: | -3.4758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.115 |
| InChI Key: | DOBPJLFVOKLGKQ-UHFFFAOYSA-N |