N-[(furan-2-yl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
N-[(furan-2-yl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | SB66-0637 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C16 H23 N3 O5 S |
| Smiles: | CS(N1C[C@H]2CCCC(N(CC(NCc3ccco3)=O)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2855 |
| logD: | 0.2855 |
| logSw: | -2.1919 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.231 |
| InChI Key: | XEEXKKYNWUBAHI-GXTWGEPZSA-N |