4-[rel-(3aR,7aR)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonyl]-2,1,3-benzothiadiazole
4-[rel-(3aR,7aR)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | S997-1268 |
| Compound Name: | 4-[rel-(3aR,7aR)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonyl]-2,1,3-benzothiadiazole |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C16 H22 N4 O5 S3 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0823 |
| logD: | 1.0823 |
| logSw: | -2.1217 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.696 |
| InChI Key: | OIVGPLRZWOWQPT-BLLLJJGKSA-N |