rel-(5aR,8aR)-1-benzyl-N-(2-methoxyethyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-N-(2-methoxyethyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-benzyl-N-(2-methoxyethyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-1144 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-N-(2-methoxyethyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C19 H27 N3 O3 |
| Smiles: | COCCNC(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.628 |
| logD: | 1.628 |
| logSw: | -2.0541 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.783 |
| InChI Key: | MXYUGTCCUFJYTN-IRXDYDNUSA-N |