2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S511-1237 |
| Compound Name: | 2-[9-(2,1,3-benzothiadiazole-4-sulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 464.6 |
| Molecular Formula: | C21 H28 N4 O4 S2 |
| Smiles: | C1CCN(C1)C(CC1CCOC2(CCN(CC2)S(c2cccc3c2nsn3)(=O)=O)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8664 |
| logD: | 2.8664 |
| logSw: | -3.2915 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.991 |
| InChI Key: | SECIMAFULANEJC-INIZCTEOSA-N |