2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
Compound ID: | SB66-0626 |
Compound Name: | 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide |
Molecular Weight: | 409.5 |
Molecular Formula: | C19 H27 N3 O5 S |
Smiles: | COc1ccc(CNC(CN2C(CCC[C@@H]3CN(C[C@H]23)S(C)(=O)=O)=O)=O)cc1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.5173 |
logD: | 0.5173 |
logSw: | -2.313 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.026 |
InChI Key: | YANZCTFRBOOJGW-DOTOQJQBSA-N |