rel-(5aR,9aS)-1-benzyl-N-(3-methoxypropyl)octahydropyrido[4,3-e][1,4]oxazepine-7(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-N-(3-methoxypropyl)octahydropyrido[4,3-e][1,4]oxazepine-7(5H)-carboxamide
rel-(5aR,9aS)-1-benzyl-N-(3-methoxypropyl)octahydropyrido[4,3-e][1,4]oxazepine-7(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0389 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-N-(3-methoxypropyl)octahydropyrido[4,3-e][1,4]oxazepine-7(5H)-carboxamide |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C20 H31 N3 O3 |
| Smiles: | COCCCNC(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.865 |
| logD: | 1.122 |
| logSw: | -2.2737 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.072 |
| InChI Key: | UNSKTHWEWLBVPN-RBUKOAKNSA-N |