ethyl 4-{N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]-L-alanyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]-L-alanyl}piperazine-1-carboxylate
ethyl 4-{N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]-L-alanyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | Y042-9940 |
| Compound Name: | ethyl 4-{N-[2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carbonyl]-L-alanyl}piperazine-1-carboxylate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C([C@H](C)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8195 |
| logD: | 2.8195 |
| logSw: | -3.3616 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.036 |
| InChI Key: | DYIYRDQGRRKVDY-HNNXBMFYSA-N |