rel-(5aR,8aR)-1-benzyl-7-(3-chlorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(3-chlorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(3-chlorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1071 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(3-chlorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 418.94 |
| Molecular Formula: | C21 H23 Cl N2 O3 S |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)S(c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4556 |
| logD: | 3.4556 |
| logSw: | -3.766 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.247 |
| InChI Key: | UPCWWZJGDJWPFF-FXAWDEMLSA-N |