ethyl 4-[N-(2-methyl-1,3-benzothiazole-6-sulfonyl)glycyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(2-methyl-1,3-benzothiazole-6-sulfonyl)glycyl]piperazine-1-carboxylate
ethyl 4-[N-(2-methyl-1,3-benzothiazole-6-sulfonyl)glycyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C920-1576 |
| Compound Name: | ethyl 4-[N-(2-methyl-1,3-benzothiazole-6-sulfonyl)glycyl]piperazine-1-carboxylate |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C17 H22 N4 O5 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CNS(c1ccc2c(c1)sc(C)n2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6523 |
| logD: | 1.6512 |
| logSw: | -2.6362 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.696 |
| InChI Key: | SBKKJQDQEMSESD-UHFFFAOYSA-N |