rel-(5aR,8aR)-1-[5-(2-methylpropanamido)pyridin-2-yl]-N-propyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[5-(2-methylpropanamido)pyridin-2-yl]-N-propyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-[5-(2-methylpropanamido)pyridin-2-yl]-N-propyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SD16-0884 |
| Compound Name: | rel-(5aR,8aR)-1-[5-(2-methylpropanamido)pyridin-2-yl]-N-propyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C21 H33 N5 O2 |
| Smiles: | CCCNC(N1C[C@H]2CCCCN(c3ccc(cn3)NC(C(C)C)=O)[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3176 |
| logD: | 3.272 |
| logSw: | -3.3662 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.141 |
| InChI Key: | SYEFYPPLGUJGIN-FUHWJXTLSA-N |