rel-(5aR,8aR)-7-[3-(2-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[3-(2-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[3-(2-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0024 |
| Compound Name: | rel-(5aR,8aR)-7-[3-(2-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C18 H24 N2 O3 |
| Smiles: | COc1ccccc1CCC(N1C[C@H]2CCCC(N[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3897 |
| logD: | 1.3897 |
| logSw: | -1.9684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.984 |
| InChI Key: | SHFWZKOCHIXPGI-GJZGRUSLSA-N |