4-[(2,5-dimethylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(2,5-dimethylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
4-[(2,5-dimethylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0051 |
| Compound Name: | 4-[(2,5-dimethylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 604.73 |
| Molecular Formula: | C35 H32 N4 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.2855 |
| logD: | 7.2855 |
| logSw: | -5.5389 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.36 |
| InChI Key: | LAQKKKHXISTMSU-UHFFFAOYSA-N |