4-[(3-chlorophenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
4-[(3-chlorophenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9317 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 611.12 |
| Molecular Formula: | C33 H27 Cl N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.8949 |
| logD: | 6.8949 |
| logSw: | -6.4615 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.36 |
| InChI Key: | BEGFJQHYJDWDAI-UHFFFAOYSA-N |