2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0055 |
| Compound Name: | 2-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 608.2 |
| Molecular Formula: | C36 H34 Cl N3 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(N3CCN(CC3)c3cc(ccc3C)[Cl])=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.5209 |
| logD: | 8.5209 |
| logSw: | -6.2971 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.677 |
| InChI Key: | KQSVSOQPRLRCBT-UHFFFAOYSA-N |