4-[(2-methylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(2-methylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
4-[(2-methylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9075 |
| Compound Name: | 4-[(2-methylphenyl)methyl]-2-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 590.7 |
| Molecular Formula: | C34 H30 N4 O4 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8581 |
| logD: | 6.8581 |
| logSw: | -5.6582 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.36 |
| InChI Key: | WKMWXJHCSWGKFA-UHFFFAOYSA-N |