rel-(5aR,8aR)-1-benzyl-7-[(2-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(2-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(2-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
Compound ID: | SB66-1108 |
Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(2-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
Molecular Weight: | 376.5 |
Molecular Formula: | C24 H28 N2 O2 |
Smiles: | Cc1ccccc1CC(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
Stereo: | RELATIVE |
logP: | 3.7018 |
logD: | 3.7018 |
logSw: | -3.7383 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 32.657 |
InChI Key: | MGCHRIBYYCRLIU-VXKWHMMOSA-N |