[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](isoquinolin-1-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](isoquinolin-1-yl)methanone
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](isoquinolin-1-yl)methanone
Compound characteristics
| Compound ID: | SB16-0332 |
| Compound Name: | [rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](isoquinolin-1-yl)methanone |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C25 H27 N3 O2 |
| Smiles: | C1CN(C[C@@H]2COCCN(Cc3ccccc3)[C@H]12)C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9668 |
| logD: | 2.0004 |
| logSw: | -3.0198 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.021 |
| InChI Key: | NRHHIKORAXIZCH-JTHBVZDNSA-N |