rel-(5aR,8aR)-1-benzyl-7-[(1-ethyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(1-ethyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(1-ethyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1138 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(1-ethyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C26 H31 N3 O |
| Smiles: | CCn1cc(CN2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7065 |
| logD: | 0.5516 |
| logSw: | -3.7297 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.9971 |
| InChI Key: | DWQJJEBKCDAVRX-OFVILXPXSA-N |