1-(4-{4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | C548-3221 |
| Compound Name: | 1-(4-{4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C23 H25 N5 O4 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(C1CCCN1S(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1844 |
| logD: | 2.1844 |
| logSw: | -2.3459 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.474 |
| InChI Key: | WZTCGSUXVHZRPM-FQEVSTJZSA-N |