6-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S997-1786 |
| Compound Name: | 6-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C19 H25 N3 O6 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6352 |
| logD: | 0.6352 |
| logSw: | -2.3279 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.521 |
| InChI Key: | HOHAULZHNLJBLI-AUUYWEPGSA-N |