rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[3-(4-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[3-(4-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[3-(4-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0152 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[3-(4-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 424.51 |
| Molecular Formula: | C25 H29 F N2 O3 |
| Smiles: | COc1ccc(CCC(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3582 |
| logD: | 3.3582 |
| logSw: | -3.514 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.201 |
| InChI Key: | XZNDHZMFQSPYGC-OFNKIYASSA-N |