rel-(3aR,7aR)-5-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aR)-5-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aR)-5-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-1302 |
| Compound Name: | rel-(3aR,7aR)-5-(2,3-dihydro-1H-indene-5-sulfonyl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C19 H28 N2 O5 S2 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)S(c1ccc2CCCc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1026 |
| logD: | 2.1026 |
| logSw: | -2.6487 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.03 |
| InChI Key: | JDTMDKDNNFMVOK-PKOBYXMFSA-N |