N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | S796-0499 |
| Compound Name: | N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundecan-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C23 H27 N5 O4 S2 |
| Smiles: | C1CCCN(C(CC(NCC1)=O)c1ccccc1)C(CNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3022 |
| logD: | 2.2103 |
| logSw: | -2.755 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.119 |
| InChI Key: | PVRUXGBCJGACGK-IBGZPJMESA-N |