2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(pyridin-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(pyridin-2-yl)ethyl]acetamide
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(pyridin-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | SB66-0667 |
| Compound Name: | 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(pyridin-2-yl)ethyl]acetamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C18 H26 N4 O4 S |
| Smiles: | CS(N1C[C@H]2CCCC(N(CC(NCCc3ccccn3)=O)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5984 |
| logD: | -0.6032 |
| logSw: | -2.1555 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.867 |
| InChI Key: | VGSUFWGWCHJEIX-GOEBONIOSA-N |