rel-(5aR,9aS)-N-propyl-7-(quinoline-6-carbonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-N-propyl-7-(quinoline-6-carbonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-N-propyl-7-(quinoline-6-carbonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0844 |
| Compound Name: | rel-(5aR,9aS)-N-propyl-7-(quinoline-6-carbonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1ccc2c(cccn2)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9064 |
| logD: | 1.9061 |
| logSw: | -2.6125 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.243 |
| InChI Key: | KNSOXDKDVDHCJI-ICSRJNTNSA-N |