1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(2-methyl-1,3-benzothiazole-6-sulfonyl)propan-1-one
Chemical Structure Depiction of
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(2-methyl-1,3-benzothiazole-6-sulfonyl)propan-1-one
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(2-methyl-1,3-benzothiazole-6-sulfonyl)propan-1-one
Compound characteristics
| Compound ID: | E557-3241 |
| Compound Name: | 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(2-methyl-1,3-benzothiazole-6-sulfonyl)propan-1-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CCS(c1ccc2c(c1)sc(C)n2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2898 |
| logD: | 2.2898 |
| logSw: | -2.839 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.01 |
| InChI Key: | PKWBBPUBWRAYRO-UHFFFAOYSA-N |