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 |