rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[4-(1H-indol-3-yl)butanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[4-(1H-indol-3-yl)butanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[4-(1H-indol-3-yl)butanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0951 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[4-(1H-indol-3-yl)butanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C27 H30 F N3 O2 |
| Smiles: | C(CC(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O)Cc1c[nH]c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6795 |
| logD: | 3.6795 |
| logSw: | -4.1957 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.528 |
| InChI Key: | XWZUPJACHPOKJE-BWKNWUBXSA-N |