2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol
Chemical Structure Depiction of
2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol
2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol
Compound characteristics
| Compound ID: | S726-0276 |
| Compound Name: | 2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethan-1-ol |
| Molecular Weight: | 397.51 |
| Molecular Formula: | C17 H23 N3 O4 S2 |
| Smiles: | C(CO)C1CCOC2(CCN(CC2)S(c2cccc3c2nsn3)(=O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2348 |
| logD: | 2.2348 |
| logSw: | -2.2852 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.16 |
| InChI Key: | AHSGSGYVSVOPFJ-CYBMUJFWSA-N |