2-benzylidene-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1117 |
| Compound Name: | 2-benzylidene-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C29 H29 N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(/C(=C/c2ccccc2)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7766 |
| logD: | 5.7766 |
| logSw: | -5.4382 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.421 |
| InChI Key: | IVAQZMQCQXMRDU-DIBXZPPDSA-N |