rel-(5aR,8aR)-1-benzyl-7-[(5-methylfuran-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(5-methylfuran-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(5-methylfuran-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1041 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(5-methylfuran-2-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C21 H26 N2 O2 |
| Smiles: | Cc1ccc(CN2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)o1 |
| Stereo: | RELATIVE |
| logP: | 2.9317 |
| logD: | 2.267 |
| logSw: | -3.044 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.5315 |
| InChI Key: | CLINDJBGKJQZDT-ICSRJNTNSA-N |