6-{3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-{3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
6-{3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E912-0658 |
| Compound Name: | 6-{3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C22 H24 Cl N3 O4 S2 |
| Smiles: | CC(CS(c1ccc2c(c1)NC(CS2)=O)(=O)=O)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4666 |
| logD: | 2.4666 |
| logSw: | -3.4613 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.004 |
| InChI Key: | LMLBKUHZLAFDRW-HNNXBMFYSA-N |