4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8427 |
| Compound Name: | 4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 551.64 |
| Molecular Formula: | C31 H26 F N5 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(\C=C2/C(N(Cc3ccccc3F)c3ccccc3S2)=O)cc1)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.4972 |
| logD: | 5.4972 |
| logSw: | -5.8067 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.34 |
| InChI Key: | KAKUFFMIVVFXGI-UHFFFAOYSA-N |