1-{3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}propan-1-one
Chemical Structure Depiction of
1-{3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}propan-1-one
1-{3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | T833-0793 |
| Compound Name: | 1-{3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-3-ethylpyrrolidin-1-yl}propan-1-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C19 H27 N5 O3 S2 |
| Smiles: | CCC(N1CCC(CC)(C1)N1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.457 |
| logD: | 2.4482 |
| logSw: | -2.416 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.443 |
| InChI Key: | FMYRLQDVYAQCOI-IBGZPJMESA-N |