rel-(5aR,8aR)-1-(3-acetamidopyridin-2-yl)-N-ethyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-(3-acetamidopyridin-2-yl)-N-ethyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-(3-acetamidopyridin-2-yl)-N-ethyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SD16-0728 |
| Compound Name: | rel-(5aR,8aR)-1-(3-acetamidopyridin-2-yl)-N-ethyloctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C18 H27 N5 O2 |
| Smiles: | CCNC(N1C[C@H]2CCCCN(c3c(cccn3)NC(C)=O)[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8579 |
| logD: | 0.8526 |
| logSw: | -1.807 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.506 |
| InChI Key: | VQUXRPIKXABVJL-GOEBONIOSA-N |