1-[rel-(3aR,7aR)-5-(2,1,3-benzothiadiazole-4-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(2,1,3-benzothiadiazole-4-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(2,1,3-benzothiadiazole-4-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0880 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(2,1,3-benzothiadiazole-4-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C17 H22 N4 O4 S2 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2207 |
| logD: | 1.2207 |
| logSw: | -2.1835 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.608 |
| InChI Key: | FQAPCDGVTAOVJK-CXAGYDPISA-N |