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 |