[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-3-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-3-yl)methanone
[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | S232-1311 |
| Compound Name: | [rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](thiophen-3-yl)methanone |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C20 H24 N2 O2 S |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1ccccc1)C(c1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5614 |
| logD: | 2.546 |
| logSw: | -2.5528 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.4923 |
| InChI Key: | PYBQAYBVDGCJTK-MJGOQNOKSA-N |