rel-(5aR,9aS)-N-propyl-7-(pyridine-2-carbonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-N-propyl-7-(pyridine-2-carbonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-N-propyl-7-(pyridine-2-carbonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0860 |
| Compound Name: | rel-(5aR,9aS)-N-propyl-7-(pyridine-2-carbonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C18 H26 N4 O3 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1ccccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1647 |
| logD: | 1.1644 |
| logSw: | -1.8993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.528 |
| InChI Key: | AIZINHLKYNGIGO-HOCLYGCPSA-N |