2-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2-benzothiazol-3(2H)-one
Chemical Structure Depiction of
2-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2-benzothiazol-3(2H)-one
2-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2-benzothiazol-3(2H)-one
Compound characteristics
| Compound ID: | E022-0627 |
| Compound Name: | 2-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2-benzothiazol-3(2H)-one |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | CC(C(N1CCN(CC1)c1cccc(C)c1C)=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9974 |
| logD: | 3.9973 |
| logSw: | -4.2587 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.407 |
| InChI Key: | CUQYDJVUOGLXKD-KRWDZBQOSA-N |