4-[(2,5-dimethylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(2,5-dimethylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
4-[(2,5-dimethylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0133 |
| Compound Name: | 4-[(2,5-dimethylphenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 561.71 |
| Molecular Formula: | C33 H31 N5 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(N3CCN(CC3)c3ncccn3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4029 |
| logD: | 6.4029 |
| logSw: | -5.5814 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.34 |
| InChI Key: | XYWKWOKINVBCDN-UHFFFAOYSA-N |