2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2-benzothiazol-3(2H)-one
2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | E022-0629 |
| Compound Name: | 2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | CC(C(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1564 |
| logD: | 4.1564 |
| logSw: | -4.4796 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.407 |
| InChI Key: | PCTGSMHEMHRXCZ-HNNXBMFYSA-N |