rel-(5aR,8aR)-7-[(4-ethoxyphenyl)acetyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(4-ethoxyphenyl)acetyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(4-ethoxyphenyl)acetyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1003 |
| Compound Name: | rel-(5aR,8aR)-7-[(4-ethoxyphenyl)acetyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 424.51 |
| Molecular Formula: | C25 H29 F N2 O3 |
| Smiles: | CCOc1ccc(CC(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.436 |
| logD: | 3.436 |
| logSw: | -3.6348 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.781 |
| InChI Key: | FYWVZEZODFBUHM-OFNKIYASSA-N |