2-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
2-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | E022-0960 |
| Compound Name: | 2-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CCC(C(N1CCN(CC1)c1ccc(cc1)OC)=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6125 |
| logD: | 3.6119 |
| logSw: | -3.7426 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.837 |
| InChI Key: | NTULGYGYZIWDKE-IBGZPJMESA-N |