6-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S997-1422 |
| Compound Name: | 6-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C18 H23 N3 O6 S |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0052 |
| logD: | 0.0052 |
| logSw: | -2.2667 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.213 |
| InChI Key: | DCCARRVHYVKTLR-FZKQIMNGSA-N |