rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0365 |
| Compound Name: | rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C24 H27 N5 O3 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2ccc(Cn3cncn3)o2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8112 |
| logD: | 1.8112 |
| logSw: | -1.9229 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.003 |
| InChI Key: | WLAAKTAMFVRCTB-FPOVZHCZSA-N |