rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(thiophen-2-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(thiophen-2-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(thiophen-2-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0154 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(thiophen-2-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C21 H23 F N2 O2 S |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)C(Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6183 |
| logD: | 2.6183 |
| logSw: | -2.7659 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.675 |
| InChI Key: | WSMYBPSUHMRGMA-QFBILLFUSA-N |