rel-(5aR,8aR)-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0822 |
| Compound Name: | rel-(5aR,8aR)-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 295.36 |
| Molecular Formula: | C13 H17 N3 O3 S |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)S(c1cccnc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1289 |
| logD: | -0.1289 |
| logSw: | -1.6096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.462 |
| InChI Key: | KELUGGHBWUPPGX-CMPLNLGQSA-N |