2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
Compound characteristics
| Compound ID: | SB66-0618 |
| Compound Name: | 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(2-methoxyphenoxy)ethyl]acetamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C20 H29 N3 O6 S |
| Smiles: | COc1ccccc1OCCNC(CN1C(CCC[C@@H]2CN(C[C@H]12)S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4515 |
| logD: | 0.4515 |
| logSw: | -2.2648 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.459 |
| InChI Key: | UTTFUDVJLYGDHF-JKSUJKDBSA-N |