2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{3-[methyl(phenyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{3-[methyl(phenyl)amino]propyl}acetamide
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{3-[methyl(phenyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | SB66-0598 |
| Compound Name: | 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{3-[methyl(phenyl)amino]propyl}acetamide |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C21 H32 N4 O4 S |
| Smiles: | CN(CCCNC(CN1C(CCC[C@@H]2CN(C[C@H]12)S(C)(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2246 |
| logD: | 0.2189 |
| logSw: | -2.2356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.529 |
| InChI Key: | KGIIDJCSXPYXSM-PKOBYXMFSA-N |