rel-(5aR,8aR)-7-[(3-methoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(3-methoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(3-methoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0794 |
| Compound Name: | rel-(5aR,8aR)-7-[(3-methoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C17 H22 N2 O3 |
| Smiles: | COc1cccc(CC(N2C[C@H]3CCCC(N[C@H]3C2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1939 |
| logD: | 1.1939 |
| logSw: | -1.9377 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.898 |
| InChI Key: | XRJGRCHPJSWAGU-ZFWWWQNUSA-N |