rel-(5aR,8aR)-7-[(4-methoxy-3-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(4-methoxy-3-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(4-methoxy-3-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0780 |
| Compound Name: | rel-(5aR,8aR)-7-[(4-methoxy-3-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 288.39 |
| Molecular Formula: | C17 H24 N2 O2 |
| Smiles: | Cc1cc(CN2C[C@H]3CCCC(N[C@H]3C2)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.727 |
| logD: | 0.5168 |
| logSw: | -2.3338 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.596 |
| InChI Key: | AARDMUBWJRAMEX-GJZGRUSLSA-N |