rel-(5aR,8aR)-1-benzyl-7-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1170 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C22 H27 N3 O4 |
| Smiles: | Cc1c(COC)c(C(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6875 |
| logD: | 1.6875 |
| logSw: | -1.8323 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.84 |
| InChI Key: | WGEDXWBWAQVIPC-HKUYNNGSSA-N |