5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0259 |
| Compound Name: | 5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C25 H31 N7 O4 S2 |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1cccc2c1nsn2)(=O)=O)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4796 |
| logD: | 1.4707 |
| logSw: | -2.3183 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.677 |
| InChI Key: | PWPHNUWZKWSHSK-IBGZPJMESA-N |