rel-(5aR,8aR)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1023 |
| Compound Name: | rel-(5aR,8aR)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 371.45 |
| Molecular Formula: | C21 H26 F N3 O2 |
| Smiles: | Cc1c(CN2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4196 |
| logD: | 0.7986 |
| logSw: | -2.498 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.307 |
| InChI Key: | IJNCZEIBOBYOCS-XLIONFOSSA-N |