2-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
2-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | L794-0084 |
| Compound Name: | 2-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C1CCN(CC1)C(C1C(Nc2ccccc2S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5515 |
| logD: | 3.5514 |
| logSw: | -3.7125 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.372 |
| InChI Key: | VZQPPMLRIGQEDZ-XMMPIXPASA-N |