rel-(5aR,9aS)-7-(5-fluoropyridine-2-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(5-fluoropyridine-2-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(5-fluoropyridine-2-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0843 |
| Compound Name: | rel-(5aR,9aS)-7-(5-fluoropyridine-2-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C18 H25 F N4 O3 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1ccc(cn1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5935 |
| logD: | 1.5931 |
| logSw: | -1.9346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.617 |
| InChI Key: | CGYNZXISLIQYQS-XJKSGUPXSA-N |