rel-(5aR,8aR)-1-benzyl-7-(morpholine-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(morpholine-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(morpholine-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1147 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(morpholine-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 393.5 |
| Molecular Formula: | C19 H27 N3 O4 S |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)S(N1CCOCC1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.8901 |
| logD: | 0.8901 |
| logSw: | -1.9791 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.561 |
| InChI Key: | ZLVHQLYONJDDCK-ZWKOTPCHSA-N |