rel-(5aR,8aR)-1-benzyl-N-(3-methoxyphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-N-(3-methoxyphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-benzyl-N-(3-methoxyphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-1133 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-N-(3-methoxyphenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H27 N3 O3 |
| Smiles: | COc1cccc(c1)NC(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.0911 |
| logD: | 3.0911 |
| logSw: | -3.4254 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.549 |
| InChI Key: | CAPCFLKLDSLYKP-RXVVDRJESA-N |