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 |