2-{1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-{1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
2-{1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | E022-0932 |
| Compound Name: | 2-{1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | CCC(C(N1CCN(CC1)c1cc(C)ccc1C)=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6666 |
| logD: | 4.6665 |
| logSw: | -4.4267 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.992 |
| InChI Key: | ARFJLISFFMCLHA-IBGZPJMESA-N |