rel-(5aR,8aR)-1-benzyl-N-(2,5-dimethoxyphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-N-(2,5-dimethoxyphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-benzyl-N-(2,5-dimethoxyphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-1131 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-N-(2,5-dimethoxyphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C24 H29 N3 O4 |
| Smiles: | COc1ccc(c(c1)NC(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1042 |
| logD: | 3.1041 |
| logSw: | -3.448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.482 |
| InChI Key: | QHHUNJMKPXAPJQ-RXVVDRJESA-N |