rel-(5aR,8aR)-1-benzyl-7-(cyclopentanecarbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(cyclopentanecarbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(cyclopentanecarbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
Compound ID: | SB66-1075 |
Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(cyclopentanecarbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
Molecular Weight: | 340.46 |
Molecular Formula: | C21 H28 N2 O2 |
Smiles: | C1CCC(C1)C(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
Stereo: | RELATIVE |
logP: | 2.8232 |
logD: | 2.8232 |
logSw: | -2.9632 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.743 |
InChI Key: | NRHNZFSELRFUCM-OALUTQOASA-N |