rel-(5aR,8aR)-1-benzyl-7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0250 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5701 |
| logD: | 1.5701 |
| logSw: | -2.287 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.285 |
| InChI Key: | MIDZHVMQEAQLET-ZWKOTPCHSA-N |