rel-(5aR,9aS)-7-(furan-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(furan-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(furan-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0804 |
| Compound Name: | rel-(5aR,9aS)-7-(furan-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C17 H25 N3 O4 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1ccoc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2701 |
| logD: | 1.2698 |
| logSw: | -1.9746 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.283 |
| InChI Key: | ZQUGKQQHWFKCES-GJZGRUSLSA-N |