rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0119 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C24 H24 F N3 O4 |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)C(CN1C(=O)Oc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2187 |
| logD: | 2.2187 |
| logSw: | -2.7324 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.757 |
| InChI Key: | ZSZTWSWQMOCUOM-XLIONFOSSA-N |