rel-(5aR,8aR)-1-benzyl-7-(1-methylpiperidin-4-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(1-methylpiperidin-4-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(1-methylpiperidin-4-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1040 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(1-methylpiperidin-4-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 341.5 |
| Molecular Formula: | C21 H31 N3 O |
| Smiles: | CN1CCC(CC1)N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8234 |
| logD: | 0.2088 |
| logSw: | -1.9399 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.2982 |
| InChI Key: | JTIOPWBYOVWLDT-ICSRJNTNSA-N |