ethyl 4-[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]piperazine-1-carboxylate
ethyl 4-[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C481-0465 |
| Compound Name: | ethyl 4-[N-(2,1,3-benzothiadiazole-4-sulfonyl)phenylalanyl]piperazine-1-carboxylate |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C22 H25 N5 O5 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(C(Cc1ccccc1)NS(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5563 |
| logD: | 2.5439 |
| logSw: | -2.7513 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.222 |
| InChI Key: | TZEDBBHWZBUJLY-SFHVURJKSA-N |