rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-2(3H)-one
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-2(3H)-one
rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-2(3H)-one
Compound characteristics
| Compound ID: | ZA22-0370 |
| Compound Name: | rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-2(3H)-one |
| Molecular Weight: | 260.33 |
| Molecular Formula: | C15 H20 N2 O2 |
| Smiles: | [H]N1CC[C@@H]2[C@H](C1)COCC(N2Cc1ccccc1)=O |
| Stereo: | RELATIVE |
| logP: | 0.335 |
| logD: | -2.2947 |
| logSw: | -1.7207 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.292 |
| InChI Key: | VIDQLCPBPXTUGA-KGLIPLIRSA-N |