2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-(2-phenylethyl)acetamide
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | SB66-0619 |
| Compound Name: | 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 393.5 |
| Molecular Formula: | C19 H27 N3 O4 S |
| Smiles: | CS(N1C[C@H]2CCCC(N(CC(NCCc3ccccc3)=O)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3096 |
| logD: | 0.3096 |
| logSw: | -2.2816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.324 |
| InChI Key: | OCJOQBWXJMSMFL-DLBZAZTESA-N |