rel-(5aR,8aR)-7-(thiophene-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(thiophene-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(thiophene-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0091 |
| Compound Name: | rel-(5aR,8aR)-7-(thiophene-2-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 300.4 |
| Molecular Formula: | C12 H16 N2 O3 S2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)S(c1cccs1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6156 |
| logD: | 0.6156 |
| logSw: | -2.2572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.962 |
| InChI Key: | QZSUOFGDWBDFCA-VHSXEESVSA-N |