rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methoxyphenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methoxyphenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methoxyphenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0942 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methoxyphenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C24 H27 F N2 O4 |
| Smiles: | COc1ccc(cc1)OCC(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5513 |
| logD: | 2.5513 |
| logSw: | -2.5875 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.7 |
| InChI Key: | XBHYKUZFXBAABQ-GCJKJVERSA-N |