3-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol
3-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol
Compound characteristics
| Compound ID: | S567-0117 |
| Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-ol |
| Molecular Weight: | 424.58 |
| Molecular Formula: | C19 H28 N4 O3 S2 |
| Smiles: | CN(C)CC1(CCC2(CC1)CCN(CC2)S(c1cccc2c1nsn2)(=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.9034 |
| logD: | 0.6649 |
| logSw: | -2.1798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.283 |
| InChI Key: | YWDCFLVCEUOFRY-UHFFFAOYSA-N |