N-[(2,4-dimethoxyphenyl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
N-[(2,4-dimethoxyphenyl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | SB66-0610 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]acetamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C20 H29 N3 O6 S |
| Smiles: | COc1ccc(CNC(CN2C(CCC[C@@H]3CN(C[C@H]23)S(C)(=O)=O)=O)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7545 |
| logD: | 0.7545 |
| logSw: | -2.4109 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.657 |
| InChI Key: | LRUZVWZNNNJKSA-DOTOQJQBSA-N |