2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | SB66-0617 |
| Compound Name: | 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide |
| Molecular Weight: | 383.46 |
| Molecular Formula: | C17 H25 N3 O5 S |
| Smiles: | Cc1ccc(CNC(CN2C(CCC[C@@H]3CN(C[C@H]23)S(C)(=O)=O)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5924 |
| logD: | 0.5924 |
| logSw: | -2.2501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.745 |
| InChI Key: | FYIWLBCDKGVEKW-DZGCQCFKSA-N |