rel-(9aR,13aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
rel-(9aR,13aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
Compound characteristics
| Compound ID: | S797-0256 |
| Compound Name: | rel-(9aR,13aS)-1-(2,1,3-benzothiadiazole-4-sulfonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C18 H24 N4 O4 S2 |
| Smiles: | C1CC[C@H]2C(NCCOCCCN([C@H]2C1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.7508 |
| logD: | 1.7508 |
| logSw: | -2.5328 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.209 |
| InChI Key: | APQVKDGNXLPDBG-HIFRSBDPSA-N |