N-[(2,4-difluorophenyl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(2,4-difluorophenyl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
N-[(2,4-difluorophenyl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | SB66-0623 |
| Compound Name: | N-[(2,4-difluorophenyl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C18 H23 F2 N3 O4 S |
| Smiles: | CS(N1C[C@H]2CCCC(N(CC(NCc3ccc(cc3F)F)=O)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9488 |
| logD: | 0.9488 |
| logSw: | -2.4469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.482 |
| InChI Key: | UNDXEMYMGZPSIJ-XJKSGUPXSA-N |