rel-(5aR,8aR)-1-benzyl-N,N-dimethyl-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-sulfonamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-N,N-dimethyl-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-sulfonamide
rel-(5aR,8aR)-1-benzyl-N,N-dimethyl-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-sulfonamide
Compound characteristics
| Compound ID: | SB66-1094 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-N,N-dimethyl-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-sulfonamide |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C17 H25 N3 O3 S |
| Smiles: | CN(C)S(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1133 |
| logD: | 1.1133 |
| logSw: | -2.2108 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.606 |
| InChI Key: | YGLPRGHFEDHMQU-JKSUJKDBSA-N |