2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione--hydrogen chloride (1/1)
2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C114-0026 |
| Compound Name: | 2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione--hydrogen chloride (1/1) |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C20 H21 N3 O5 S |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1737 |
| logD: | 1.1732 |
| logSw: | -2.3815 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.38 |
| InChI Key: | PDHNJIJFXRZRQQ-UHFFFAOYSA-N |