5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S747-0261 |
| Compound Name: | 5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C20 H26 N6 O4 S2 |
| Smiles: | CC(C)c1nc(C2CCCN(CCC(NCC2)=O)S(c2cccc3c2nsn3)(=O)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2666 |
| logD: | 2.2666 |
| logSw: | -2.6946 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.934 |
| InChI Key: | NNOLQFAUYNSAPF-AWEZNQCLSA-N |